1-butyl-9-ethylsulfanyl-3,4-dihydro-2H-[1]benzothiolo[3,2-e][1,4]diazepin-5-one

Systemtic Name: 1-butyl-9-ethylsulfanyl-3,4-dihydro-2H-[1]benzothiolo[3,2-e][1,4]diazepin-5-one Openeye Name: 1-butyl-9-ethylsulfanyl-3,4-dihydro-2H-benzothiopheno[3,2-e][1,4]diazepin-5-one CAS Name: 1-butyl-9-(ethylthio)-3,4-dihydro-2H-[1]benzothiolo[3,2-e][1,4]diazepin-5-one IUPAC Name: 1-butyl-9-ethylsulfanyl-3,4-dihydro-2H-[1]benzothiolo[3,2-e][1,4]diazepin-5-one Traditional Name: 1-butyl-9-(ethylthio)-3,4-dihydro-2H-benzothiopheno[3,2-e][1,4]diazepin-5-one Formula: C17H22N2OS2 MolecularWeight: 334.49938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCNC(=O)C2=C1C3=C(S2)C=CC(=C3)SCC

Isomeric SMILES

CCCCN1CCNC(=O)C2=C1C3=C(S2)C=CC(=C3)SCC

InChI

InChI=1S/C17H22N2OS2/c1-3-5-9-19-10-8-18-17(20)16-15(19)13-11-12(21-4-2)6-7-14(13)22-16/h6-7,11H,3-5,8-10H2,1-2H3,(H,18,20)