4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-[2-(methylthio)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[2-(2,6-dimethylanilino)-2-keto-ethyl]-N-[2-(methylthio)phenyl]-1,4-diazepane-1-carboxamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C23H30N4O2S/c1-17-8-6-9-18(2)22(17)25-21(28)16-26-12-7-13-27(15-14-26)23(29)24-19-10-4-5-11-20(19)30-3/h4-6,8-11H,7,12-16H2,1-3H3,(H,24,29)(H,25,28)