azanyl 2-[(2-aminophenyl)amino]-2-methyl-3-sulfanylidene-azepane-1-carboxylate

Systemtic Name: azanyl 2-[(2-aminophenyl)amino]-2-methyl-3-sulfanylidene-azepane-1-carboxylate Openeye Name: amino 2-(2-aminoanilino)-2-methyl-3-thioxo-azepane-1-carboxylate CAS Name: 2-(2-aminoanilino)-2-methyl-3-sulfanylidene-1-azepanecarboxylic acid amino ester IUPAC Name: amino 2-(2-aminoanilino)-2-methyl-3-sulfanylideneazepane-1-carboxylate Traditional Name: 2-(2-aminoanilino)-2-methyl-3-thioxo-azepane-1-carboxylic acid amino ester Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=S)CCCCN1C(=O)ON)NC2=CC=CC=C2N

Isomeric SMILES

CC1(C(=S)CCCCN1C(=O)ON)NC2=CC=CC=C2N

InChI

InChI=1S/C14H20N4O2S/c1-14(17-11-7-3-2-6-10(11)15)12(21)8-4-5-9-18(14)13(19)20-16/h2-3,6-7,17H,4-5,8-9,15-16H2,1H3