butyl 4-[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C27H29N3O3S2 MolecularWeight: 507.66746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C

InChI

InChI=1S/C27H29N3O3S2/c1-3-4-16-33-26(32)20-10-14-21(15-11-20)28-25(31)18-35-24-7-5-6-23(17-24)30-27(34)29-22-12-8-19(2)9-13-22/h5-15,17H,3-4,16,18H2,1-2H3,(H,28,31)(H2,29,30,34)