methyl 2-[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanoylamino]benzoate Openeye Name: methyl 2-[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanoylamino]benzoate CAS Name: 2-[[2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 2-[2-[[3-(phenylthiocarbamoylamino)phenyl]thio]butanoylamino]benzoic acid methyl ester Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C25H25N3O3S2/c1-3-22(23(29)28-21-15-8-7-14-20(21)24(30)31-2)33-19-13-9-12-18(16-19)27-25(32)26-17-10-5-4-6-11-17/h4-16,22H,3H2,1-2H3,(H,28,29)(H2,26,27,32)