methyl 2-[(4-butan-2-ylphenyl)carbamothioylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[(4-butan-2-ylphenyl)carbamothioylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 4,5-dimethoxy-2-[(4-sec-butylphenyl)carbamothioylamino]benzoate CAS Name: 2-[[(4-butan-2-ylanilino)-sulfanylidenemethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[(4-butan-2-ylphenyl)carbamothioylamino]-4,5-dimethoxybenzoate Traditional Name: 4,5-dimethoxy-2-[(4-sec-butylphenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2C(=O)OC)OC)OC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2C(=O)OC)OC)OC

InChI

InChI=1S/C21H26N2O4S/c1-6-13(2)14-7-9-15(10-8-14)22-21(28)23-17-12-19(26-4)18(25-3)11-16(17)20(24)27-5/h7-13H,6H2,1-5H3,(H2,22,23,28)