N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[2-[(2-methoxyphenyl)methylamino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[2-[(2-methoxyphenyl)methylamino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[[2-[(2-methoxyphenyl)methylamino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[[2-[(2-methoxyphenyl)methylamino]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[2-[(2-methoxyphenyl)methylamino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-[[2-(o-anisylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C30H33N5O4S MolecularWeight: 559.67912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(SC4=C3CCCC4)NC(=O)CNCC5=CC=CC=C5OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(SC4=C3CCCC4)NC(=O)CNCC5=CC=CC=C5OC

InChI

InChI=1S/C30H33N5O4S/c1-19-27(30(38)35(34(19)2)21-12-5-4-6-13-21)33-28(37)26-22-14-8-10-16-24(22)40-29(26)32-25(36)18-31-17-20-11-7-9-15-23(20)39-3/h4-7,9,11-13,15,31H,8,10,14,16-18H2,1-3H3,(H,32,36)(H,33,37)