methyl 3-(ethanoylcarbamothioylamino)-4-(4-methylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-(ethanoylcarbamothioylamino)-4-(4-methylpiperazin-1-yl)benzoate Openeye Name: methyl 3-(acetylcarbamothioylamino)-4-(4-methylpiperazin-1-yl)benzoate CAS Name: 3-[[acetamido(sulfanylidene)methyl]amino]-4-(4-methyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-(acetylcarbamothioylamino)-4-(4-methylpiperazin-1-yl)benzoate Traditional Name: 3-(acetylthiocarbamoylamino)-4-(4-methylpiperazino)benzoic acid methyl ester Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)OC)N2CCN(CC2)C

Isomeric SMILES

CC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)OC)N2CCN(CC2)C

InChI

InChI=1S/C16H22N4O3S/c1-11(21)17-16(24)18-13-10-12(15(22)23-3)4-5-14(13)20-8-6-19(2)7-9-20/h4-5,10H,6-9H2,1-3H3,(H2,17,18,21,24)