methyl 4-[butyl(methyl)amino]-3-[(4-phenoxyphenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 4-[butyl(methyl)amino]-3-[(4-phenoxyphenyl)carbamothioylamino]benzoate Openeye Name: methyl 4-[butyl(methyl)amino]-3-[(4-phenoxyphenyl)carbamothioylamino]benzoate CAS Name: 4-[butyl(methyl)amino]-3-[[(4-phenoxyanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[butyl(methyl)amino]-3-[(4-phenoxyphenyl)carbamothioylamino]benzoate Traditional Name: 4-[butyl(methyl)amino]-3-[(4-phenoxyphenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCCN(C)C1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C26H29N3O3S/c1-4-5-17-29(2)24-16-11-19(25(30)31-3)18-23(24)28-26(33)27-20-12-14-22(15-13-20)32-21-9-7-6-8-10-21/h6-16,18H,4-5,17H2,1-3H3,(H2,27,28,33)