methyl 4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]carbamothioyl]amino]benzoate Openeye Name: methyl 4-[[ethyl-[2-(4-methoxyphenyl)-1-methyl-ethyl]carbamothioyl]amino]benzoate CAS Name: 4-[[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]carbamothioyl]amino]benzoate Traditional Name: 4-[[ethyl-[2-(4-methoxyphenyl)-1-methyl-ethyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(C)CC1=CC=C(C=C1)OC)C(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCN(C(C)CC1=CC=C(C=C1)OC)C(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H26N2O3S/c1-5-23(15(2)14-16-6-12-19(25-3)13-7-16)21(27)22-18-10-8-17(9-11-18)20(24)26-4/h6-13,15H,5,14H2,1-4H3,(H,22,27)