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

Systemtic Name: N-[3-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-4-ethoxy-thiophene-2-carboxamide Openeye Name: N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-4-ethoxy-thiophene-2-carboxamide CAS Name: N-[3-chloro-6-(4-methyl-1-piperazinyl)-11-benzo[b][1,4]benzodiazepinyl]-4-ethoxy-2-thiophenecarboxamide IUPAC Name: N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-4-ethoxythiophene-2-carboxamide Traditional Name: N-[3-chloro-6-(4-methylpiperazino)benzo[b][1,4]benzodiazepin-11-yl]-4-ethoxy-thiophene-2-carboxamide Formula: C25H26ClN5O2S MolecularWeight: 496.02424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CSC(=C1)C(=O)NN2C3=C(C=C(C=C3)Cl)N=C(C4=CC=CC=C42)N5CCN(CC5)C

Isomeric SMILES

CCOC1=CSC(=C1)C(=O)NN2C3=C(C=C(C=C3)Cl)N=C(C4=CC=CC=C42)N5CCN(CC5)C

InChI

InChI=1S/C25H26ClN5O2S/c1-3-33-18-15-23(34-16-18)25(32)28-31-21-7-5-4-6-19(21)24(30-12-10-29(2)11-13-30)27-20-14-17(26)8-9-22(20)31/h4-9,14-16H,3,10-13H2,1-2H3,(H,28,32)