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

Systemtic Name: 1-butyl-9-methylsulfanyl-3,4-dihydro-2H-[1]benzothiolo[3,2-e][1,4]diazepin-5-one Openeye Name: 1-butyl-9-methylsulfanyl-3,4-dihydro-2H-benzothiopheno[3,2-e][1,4]diazepin-5-one CAS Name: 1-butyl-9-(methylthio)-3,4-dihydro-2H-[1]benzothiolo[3,2-e][1,4]diazepin-5-one IUPAC Name: 1-butyl-9-methylsulfanyl-3,4-dihydro-2H-[1]benzothiolo[3,2-e][1,4]diazepin-5-one Traditional Name: 1-butyl-9-(methylthio)-3,4-dihydro-2H-benzothiopheno[3,2-e][1,4]diazepin-5-one Formula: C16H20N2OS2 MolecularWeight: 320.4728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2OS2/c1-3-4-8-18-9-7-17-16(19)15-14(18)12-10-11(20-2)5-6-13(12)21-15/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,19)