butyl 4-[2-[4-(phenylcarbamothioylamino)phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[4-(phenylcarbamothioylamino)phenyl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-(phenylthiocarbamoylamino)phenyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C26H27N3O3S2 MolecularWeight: 493.64088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O3S2/c1-2-3-17-32-25(31)19-9-11-21(12-10-19)27-24(30)18-34-23-15-13-22(14-16-23)29-26(33)28-20-7-5-4-6-8-20/h4-16H,2-3,17-18H2,1H3,(H,27,30)(H2,28,29,33)