N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]propionamide Formula: C25H24N4OS3 MolecularWeight: 492.67926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C#N)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C25H24N4OS3/c1-16(23(30)29-24-21(15-26)20-12-5-6-13-22(20)33-24)32-19-11-7-10-18(14-19)28-25(31)27-17-8-3-2-4-9-17/h2-4,7-11,14,16H,5-6,12-13H2,1H3,(H,29,30)(H2,27,28,31)