ethyl 4-[(2-aminophenyl)carbamothioylamino]azepane-1-carboxylate

Systemtic Name: ethyl 4-[(2-aminophenyl)carbamothioylamino]azepane-1-carboxylate Openeye Name: ethyl 4-[(2-aminophenyl)carbamothioylamino]azepane-1-carboxylate CAS Name: 4-[[(2-aminoanilino)-sulfanylidenemethyl]amino]-1-azepanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-aminophenyl)carbamothioylamino]azepane-1-carboxylate Traditional Name: 4-[(2-aminophenyl)thiocarbamoylamino]azepane-1-carboxylic acid ethyl ester Formula: C16H24N4O2S MolecularWeight: 336.45236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCC(CC1)NC(=S)NC2=CC=CC=C2N

Isomeric SMILES

CCOC(=O)N1CCCC(CC1)NC(=S)NC2=CC=CC=C2N

InChI

InChI=1S/C16H24N4O2S/c1-2-22-16(21)20-10-5-6-12(9-11-20)18-15(23)19-14-8-4-3-7-13(14)17/h3-4,7-8,12H,2,5-6,9-11,17H2,1H3,(H2,18,19,23)