N-[3-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-3-ethoxy-1-benzothiophene-2-carboxamide

Systemtic Name: N-[3-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-3-ethoxy-1-benzothiophene-2-carboxamide Openeye Name: N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-3-ethoxy-benzothiophene-2-carboxamide CAS Name: N-[3-chloro-6-(4-methyl-1-piperazinyl)-11-benzo[b][1,4]benzodiazepinyl]-3-ethoxy-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-3-ethoxy-1-benzothiophene-2-carboxamide Traditional Name: N-[3-chloro-6-(4-methylpiperazino)benzo[b][1,4]benzodiazepin-11-yl]-3-ethoxy-benzothiophene-2-carboxamide Formula: C29H28ClN5O2S MolecularWeight: 546.08292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(SC2=CC=CC=C21)C(=O)NN3C4=C(C=C(C=C4)Cl)N=C(C5=CC=CC=C53)N6CCN(CC6)C

Isomeric SMILES

CCOC1=C(SC2=CC=CC=C21)C(=O)NN3C4=C(C=C(C=C4)Cl)N=C(C5=CC=CC=C53)N6CCN(CC6)C

InChI

InChI=1S/C29H28ClN5O2S/c1-3-37-26-21-9-5-7-11-25(21)38-27(26)29(36)32-35-23-10-6-4-8-20(23)28(34-16-14-33(2)15-17-34)31-22-18-19(30)12-13-24(22)35/h4-13,18H,3,14-17H2,1-2H3,(H,32,36)