tert-butyl 4-[(2,4-dimethylphenyl)carbamothioyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[(2,4-dimethylphenyl)carbamothioyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[(2,4-dimethylphenyl)carbamothioyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(2,4-dimethylanilino)-sulfanylidenemethyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2,4-dimethylphenyl)carbamothioyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(2,4-dimethylphenyl)thiocarbamoyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C19H29N3O2S MolecularWeight: 363.51746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N2CCCN(CC2)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N2CCCN(CC2)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C19H29N3O2S/c1-14-7-8-16(15(2)13-14)20-17(25)21-9-6-10-22(12-11-21)18(23)24-19(3,4)5/h7-8,13H,6,9-12H2,1-5H3,(H,20,25)