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

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(3-cyano-6-methyl-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-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]propionamide Formula: C26H26N4OS3 MolecularWeight: 506.70584

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C(C)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C(C)SC3=CC=CC(=C3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C26H26N4OS3/c1-16-11-12-21-22(15-27)25(34-23(21)13-16)30-24(31)17(2)33-20-10-6-9-19(14-20)29-26(32)28-18-7-4-3-5-8-18/h3-10,14,16-17H,11-13H2,1-2H3,(H,30,31)(H2,28,29,32)