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

Systemtic Name: N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide Openeye Name: N-(2-methoxyphenyl)-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-butanamide CAS Name: N-(2-methoxyphenyl)-2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]butanamide IUPAC Name: N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylbutanamide Traditional Name: N-(2-methoxyphenyl)-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]butyramide Formula: C25H27N3O2S2 MolecularWeight: 465.63078

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1OC)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1OC)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C

InChI

InChI=1S/C25H27N3O2S2/c1-4-23(24(29)28-21-10-5-6-11-22(21)30-3)32-20-9-7-8-19(16-20)27-25(31)26-18-14-12-17(2)13-15-18/h5-16,23H,4H2,1-3H3,(H,28,29)(H2,26,27,31)