1-(8,9-dimethyl-5-sulfanylidene-6H-pyrido[3,2-c][1,5]benzodiazepin-11-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

Systemtic Name: 1-(8,9-dimethyl-5-sulfanylidene-6H-pyrido[3,2-c][1,5]benzodiazepin-11-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone Openeye Name: 1-(8,9-dimethyl-5-thioxo-6H-pyrido[3,2-c][1,5]benzodiazepin-11-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone CAS Name: 1-(8,9-dimethyl-5-sulfanylidene-6H-pyrido[3,2-c][1,5]benzodiazepin-11-yl)-2-[4-(2-hydroxyethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(8,9-dimethyl-5-sulfanylidene-6H-pyrido[3,2-c][1,5]benzodiazepin-11-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone Traditional Name: 1-(8,9-dimethyl-5-thioxo-6H-pyrido[3,2-c][1,5]benzodiazepin-11-yl)-2-[4-(2-hydroxyethyl)piperazino]ethanone Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C3=C(C=CC=N3)C(=S)N2)C(=O)CN4CCN(CC4)CCO

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C3=C(C=CC=N3)C(=S)N2)C(=O)CN4CCN(CC4)CCO

InChI

InChI=1S/C22H27N5O2S/c1-15-12-18-19(13-16(15)2)27(21-17(22(30)24-18)4-3-5-23-21)20(29)14-26-8-6-25(7-9-26)10-11-28/h3-5,12-13,28H,6-11,14H2,1-2H3,(H,24,30)