methyl 3-[(4-butan-2-ylphenyl)carbamothioylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[(4-butan-2-ylphenyl)carbamothioylamino]-4-methyl-benzoate Openeye Name: methyl 4-methyl-3-[(4-sec-butylphenyl)carbamothioylamino]benzoate CAS Name: 3-[[(4-butan-2-ylanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(4-butan-2-ylphenyl)carbamothioylamino]-4-methylbenzoate Traditional Name: 4-methyl-3-[(4-sec-butylphenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C20H24N2O2S MolecularWeight: 356.48176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)C

InChI

InChI=1S/C20H24N2O2S/c1-5-13(2)15-8-10-17(11-9-15)21-20(25)22-18-12-16(19(23)24-4)7-6-14(18)3/h6-13H,5H2,1-4H3,(H2,21,22,25)