N,N-diethyl-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanamine

Systemtic Name: N,N-diethyl-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanamine Openeye Name: N,N-diethyl-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanamine CAS Name: N,N-diethyl-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)ethanamine IUPAC Name: N,N-diethyl-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanamine Traditional Name: diethyl-[2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)ethyl]amine Formula: C18H22N4S MolecularWeight: 326.45908

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=NC2=C(NC3=CC=CC=C31)N=CC=C2

Isomeric SMILES

CCN(CC)CCSC1=NC2=C(NC3=CC=CC=C31)N=CC=C2

InChI

InChI=1S/C18H22N4S/c1-3-22(4-2)12-13-23-18-14-8-5-6-9-15(14)20-17-16(21-18)10-7-11-19-17/h5-11H,3-4,12-13H2,1-2H3,(H,19,20)