3-(4-chloranyl-2-methyl-phenyl)-1-ethyl-2-sulfanylidene-1,3-diazepan-4-one

Systemtic Name: 3-(4-chloranyl-2-methyl-phenyl)-1-ethyl-2-sulfanylidene-1,3-diazepan-4-one Openeye Name: 3-(4-chloro-2-methyl-phenyl)-1-ethyl-2-thioxo-1,3-diazepan-4-one CAS Name: 3-(4-chloro-2-methylphenyl)-1-ethyl-2-sulfanylidene-1,3-diazepan-4-one IUPAC Name: 3-(4-chloro-2-methylphenyl)-1-ethyl-2-sulfanylidene-1,3-diazepan-4-one Traditional Name: 3-(4-chloro-2-methyl-phenyl)-1-ethyl-2-thioxo-1,3-diazepan-4-one Formula: C14H17ClN2OS MolecularWeight: 296.81558

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC(=O)N(C1=S)C2=C(C=C(C=C2)Cl)C

Isomeric SMILES

CCN1CCCC(=O)N(C1=S)C2=C(C=C(C=C2)Cl)C

InChI

InChI=1S/C14H17ClN2OS/c1-3-16-8-4-5-13(18)17(14(16)19)12-7-6-11(15)9-10(12)2/h6-7,9H,3-5,8H2,1-2H3