N-(3-chloranyl-4-methyl-phenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide CAS Name: 2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(3-chloro-4-methylphenyl)propanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[[4-(phenylthiocarbamoylamino)phenyl]thio]propionamide Formula: C23H22ClN3OS2 MolecularWeight: 456.02328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3)Cl

InChI

InChI=1S/C23H22ClN3OS2/c1-15-8-9-19(14-21(15)24)25-22(28)16(2)30-20-12-10-18(11-13-20)27-23(29)26-17-6-4-3-5-7-17/h3-14,16H,1-2H3,(H,25,28)(H2,26,27,29)