butyl 4-[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[3-(phenylthiocarbamoylamino)phenyl]thio]propanoylamino]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)C(C)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

InChI

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