methyl 4-[(2-aminophenyl)carbamothioylamino]-3-methyl-piperidine-1-carboxylate

Systemtic Name: methyl 4-[(2-aminophenyl)carbamothioylamino]-3-methyl-piperidine-1-carboxylate Openeye Name: methyl 4-[(2-aminophenyl)carbamothioylamino]-3-methyl-piperidine-1-carboxylate CAS Name: 4-[[(2-aminoanilino)-sulfanylidenemethyl]amino]-3-methyl-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(2-aminophenyl)carbamothioylamino]-3-methylpiperidine-1-carboxylate Traditional Name: 4-[(2-aminophenyl)thiocarbamoylamino]-3-methyl-piperidine-1-carboxylic acid methyl ester Formula: C15H22N4O2S MolecularWeight: 322.42578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1NC(=S)NC2=CC=CC=C2N)C(=O)OC

Isomeric SMILES

CC1CN(CCC1NC(=S)NC2=CC=CC=C2N)C(=O)OC

InChI

InChI=1S/C15H22N4O2S/c1-10-9-19(15(20)21-2)8-7-12(10)17-14(22)18-13-6-4-3-5-11(13)16/h3-6,10,12H,7-9,16H2,1-2H3,(H2,17,18,22)