methyl 3-[(4-butylphenyl)carbamothioylamino]-4-methyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)C(=O)OC)C

InChI

InChI=1S/C20H24N2O2S/c1-4-5-6-15-8-11-17(12-9-15)21-20(25)22-18-13-16(19(23)24-3)10-7-14(18)2/h7-13H,4-6H2,1-3H3,(H2,21,22,25)