2-chloranyl-N-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxidanylidene-1-phenyl-propyl]benzamide

Systemtic Name: 2-chloranyl-N-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxidanylidene-1-phenyl-propyl]benzamide Openeye Name: 2-chloro-N-[3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-oxo-1-phenyl-propyl]benzamide CAS Name: 2-chloro-N-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide IUPAC Name: 2-chloro-N-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide Traditional Name: 2-chloro-N-[3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-keto-1-phenyl-propyl]benzamide Formula: C25H22ClN3O2S MolecularWeight: 463.97908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4Cl)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4Cl)C#N

InChI

InChI=1S/C25H22ClN3O2S/c26-20-12-6-4-11-18(20)24(31)28-21(16-8-2-1-3-9-16)14-23(30)29-25-19(15-27)17-10-5-7-13-22(17)32-25/h1-4,6,8-9,11-12,21H,5,7,10,13-14H2,(H,28,31)(H,29,30)