methyl 2-methyl-4-(octylcarbamothioylamino)-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-methyl-4-(octylcarbamothioylamino)-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-methyl-4-(octylcarbamothioylamino)-1H-pyrrole-3-carboxylate CAS Name: 2-methyl-4-[[(octylamino)-sulfanylidenemethyl]amino]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-4-(octylcarbamothioylamino)-1H-pyrrole-3-carboxylate Traditional Name: 2-methyl-4-(octylthiocarbamoylamino)-1H-pyrrole-3-carboxylic acid methyl ester Formula: C16H27N3O2S MolecularWeight: 325.46948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=S)NC1=CNC(=C1C(=O)OC)C

Isomeric SMILES

CCCCCCCCNC(=S)NC1=CNC(=C1C(=O)OC)C

InChI

InChI=1S/C16H27N3O2S/c1-4-5-6-7-8-9-10-17-16(22)19-13-11-18-12(2)14(13)15(20)21-3/h11,18H,4-10H2,1-3H3,(H2,17,19,22)