2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)butanamide

Systemtic Name: 2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)butanamide Openeye Name: N-(4-phenoxyphenyl)-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: 2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(4-phenoxyphenyl)butanamide IUPAC Name: 2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)butanamide Traditional Name: N-(4-phenoxyphenyl)-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]butyramide Formula: C30H29N3O2S2 MolecularWeight: 527.70016

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=CC=CC(=C3)NC(=S)NC4=CC=C(C=C4)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=CC=CC(=C3)NC(=S)NC4=CC=C(C=C4)C

InChI

InChI=1S/C30H29N3O2S2/c1-3-28(29(34)31-22-16-18-26(19-17-22)35-25-9-5-4-6-10-25)37-27-11-7-8-24(20-27)33-30(36)32-23-14-12-21(2)13-15-23/h4-20,28H,3H2,1-2H3,(H,31,34)(H2,32,33,36)