1-(8,9-diethyl-5-sulfanylidene-6H-pyrido[3,2-c][1,5]benzodiazepin-11-yl)-2-pyrrolidin-1-yl-ethanone

Systemtic Name: 1-(8,9-diethyl-5-sulfanylidene-6H-pyrido[3,2-c][1,5]benzodiazepin-11-yl)-2-pyrrolidin-1-yl-ethanone Openeye Name: 1-(8,9-diethyl-5-thioxo-6H-pyrido[3,2-c][1,5]benzodiazepin-11-yl)-2-pyrrolidin-1-yl-ethanone CAS Name: 1-(8,9-diethyl-5-sulfanylidene-6H-pyrido[3,2-c][1,5]benzodiazepin-11-yl)-2-(1-pyrrolidinyl)ethanone IUPAC Name: 1-(8,9-diethyl-5-sulfanylidene-6H-pyrido[3,2-c][1,5]benzodiazepin-11-yl)-2-pyrrolidin-1-ylethanone Traditional Name: 1-(8,9-diethyl-5-thioxo-6H-pyrido[3,2-c][1,5]benzodiazepin-11-yl)-2-pyrrolidino-ethanone Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1CC)N(C3=C(C=CC=N3)C(=S)N2)C(=O)CN4CCCC4

Isomeric SMILES

CCC1=CC2=C(C=C1CC)N(C3=C(C=CC=N3)C(=S)N2)C(=O)CN4CCCC4

InChI

InChI=1S/C22H26N4OS/c1-3-15-12-18-19(13-16(15)4-2)26(20(27)14-25-10-5-6-11-25)21-17(22(28)24-18)8-7-9-23-21/h7-9,12-13H,3-6,10-11,14H2,1-2H3,(H,24,28)