N-(4-azanyl-1-phenyl-pyrazol-3-yl)-6-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-(4-azanyl-1-phenyl-pyrazol-3-yl)-6-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(4-amino-1-phenyl-pyrazol-3-yl)-6-[2-(benzylamino)-2-oxo-ethyl]benzothiophene-2-carboxamide CAS Name: N-(4-amino-1-phenyl-3-pyrazolyl)-6-[2-oxo-2-[(phenylmethyl)amino]ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-amino-1-phenylpyrazol-3-yl)-6-[2-(benzylamino)-2-oxoethyl]-1-benzothiophene-2-carboxamide Traditional Name: N-(4-amino-1-phenyl-pyrazol-3-yl)-6-[2-(benzylamino)-2-keto-ethyl]benzothiophene-2-carboxamide Formula: C27H23N5O2S MolecularWeight: 481.56882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CC2=CC3=C(C=C2)C=C(S3)C(=O)NC4=NN(C=C4N)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CC2=CC3=C(C=C2)C=C(S3)C(=O)NC4=NN(C=C4N)C5=CC=CC=C5

InChI

InChI=1S/C27H23N5O2S/c28-22-17-32(21-9-5-2-6-10-21)31-26(22)30-27(34)24-15-20-12-11-19(13-23(20)35-24)14-25(33)29-16-18-7-3-1-4-8-18/h1-13,15,17H,14,16,28H2,(H,29,33)(H,30,31,34)