4-azanyl-N3-cyclohexyl-N5-(3-methylphenyl)-N5-[2-oxidanylidene-2-[(phenylmethyl)amino]-1-thiophen-2-yl-ethyl]-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N3-cyclohexyl-N5-(3-methylphenyl)-N5-[2-oxidanylidene-2-[(phenylmethyl)amino]-1-thiophen-2-yl-ethyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(benzylamino)-2-oxo-1-(2-thienyl)ethyl]-N3-cyclohexyl-N5-(m-tolyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N3-cyclohexyl-N5-(3-methylphenyl)-N5-[2-oxo-2-[(phenylmethyl)amino]-1-thiophen-2-ylethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(benzylamino)-2-oxo-1-thiophen-2-ylethyl]-3-N-cyclohexyl-5-N-(3-methylphenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(benzylamino)-2-keto-1-(2-thienyl)ethyl]-N-cyclohexyl-N'-(m-tolyl)isothiazole-3,5-dicarboxamide Formula: C31H33N5O3S2 MolecularWeight: 587.75542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C(C2=CC=CS2)C(=O)NCC3=CC=CC=C3)C(=O)C4=C(C(=NS4)C(=O)NC5CCCCC5)N

Isomeric SMILES

CC1=CC(=CC=C1)N(C(C2=CC=CS2)C(=O)NCC3=CC=CC=C3)C(=O)C4=C(C(=NS4)C(=O)NC5CCCCC5)N

InChI

InChI=1S/C31H33N5O3S2/c1-20-10-8-15-23(18-20)36(27(24-16-9-17-40-24)30(38)33-19-21-11-4-2-5-12-21)31(39)28-25(32)26(35-41-28)29(37)34-22-13-6-3-7-14-22/h2,4-5,8-12,15-18,22,27H,3,6-7,13-14,19,32H2,1H3,(H,33,38)(H,34,37)