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

Systemtic Name: [(2-aminophenyl)carbamothioylamino] azepane-1-carboxylate Openeye Name: [(2-aminophenyl)carbamothioylamino] azepane-1-carboxylate CAS Name: 1-azepanecarboxylic acid [[(2-aminoanilino)-sulfanylidenemethyl]amino] ester IUPAC Name: [(2-aminophenyl)carbamothioylamino] azepane-1-carboxylate Traditional Name: azepane-1-carboxylic acid [(2-aminophenyl)thiocarbamoylamino] ester Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)ONC(=S)NC2=CC=CC=C2N

Isomeric SMILES

C1CCCN(CC1)C(=O)ONC(=S)NC2=CC=CC=C2N

InChI

InChI=1S/C14H20N4O2S/c15-11-7-3-4-8-12(11)16-13(21)17-20-14(19)18-9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-10,15H2,(H2,16,17,21)