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

Systemtic Name: butyl 4-[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(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=CC(=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

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

InChI

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