N-ethyl-7-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1,2-diazepine-2-carbothioamide

Systemtic Name: N-ethyl-7-(4-methoxyphenyl)-3,4,5,6-tetrahydro-1,2-diazepine-2-carbothioamide Openeye Name: N-ethyl-7-(4-methoxyphenyl)-3,4,5,6-tetrahydrodiazepine-2-carbothioamide CAS Name: N-ethyl-7-(4-methoxyphenyl)-3,4,5,6-tetrahydrodiazepine-2-carbothioamide IUPAC Name: N-ethyl-7-(4-methoxyphenyl)-3,4,5,6-tetrahydrodiazepine-2-carbothioamide Traditional Name: N-ethyl-7-(4-methoxyphenyl)-3,4,5,6-tetrahydrodiazepine-2-carbothioamide Formula: C15H21N3OS MolecularWeight: 291.41174

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCCCC(=N1)C2=CC=C(C=C2)OC

Isomeric SMILES

CCNC(=S)N1CCCCC(=N1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C15H21N3OS/c1-3-16-15(20)18-11-5-4-6-14(17-18)12-7-9-13(19-2)10-8-12/h7-10H,3-6,11H2,1-2H3,(H,16,20)