N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-2-yl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-2-thiazolyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-4-pyrazolecarboxamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-thiazol-2-yl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-pyrazole-4-carboxamide Formula: C20H21N5O4S2 MolecularWeight: 459.54184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C)SCC(=O)N

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C)SCC(=O)N

InChI

InChI=1S/C20H21N5O4S2/c1-11-19(30-10-16(21)26)31-20(22-11)23-18(27)13-9-25(2)24-17(13)12-4-5-14-15(8-12)29-7-3-6-28-14/h4-5,8-9H,3,6-7,10H2,1-2H3,(H2,21,26)(H,22,23,27)