ethyl 4-[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzoate Openeye Name: ethyl 4-[2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]butanoylamino]benzoic acid ethyl ester Formula: C27H29N3O3S2 MolecularWeight: 507.66746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C

InChI

InChI=1S/C27H29N3O3S2/c1-4-24(25(31)28-20-15-11-19(12-16-20)26(32)33-5-2)35-23-8-6-7-22(17-23)30-27(34)29-21-13-9-18(3)10-14-21/h6-17,24H,4-5H2,1-3H3,(H,28,31)(H2,29,30,34)