6-(4-methylpiperazin-1-yl)-3-(propan-2-yloxymethyl)pyrrolo[2,1-b][1,3]benzothiazepine

Systemtic Name: 6-(4-methylpiperazin-1-yl)-3-(propan-2-yloxymethyl)pyrrolo[2,1-b][1,3]benzothiazepine Openeye Name: 3-(isopropoxymethyl)-6-(4-methylpiperazin-1-yl)pyrrolo[2,1-b][1,3]benzothiazepine CAS Name: 6-(4-methyl-1-piperazinyl)-3-(propan-2-yloxymethyl)pyrrolo[2,1-b][1,3]benzothiazepine IUPAC Name: 6-(4-methylpiperazin-1-yl)-3-(propan-2-yloxymethyl)pyrrolo[2,1-b][1,3]benzothiazepine Traditional Name: 3-(isopropoxymethyl)-6-(4-methylpiperazino)pyrrolo[2,1-b][1,3]benzothiazepine Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1=CC=C2N1C=C(C3=CC=CC=C3S2)N4CCN(CC4)C

Isomeric SMILES

CC(C)OCC1=CC=C2N1C=C(C3=CC=CC=C3S2)N4CCN(CC4)C

InChI

InChI=1S/C21H27N3OS/c1-16(2)25-15-17-8-9-21-24(17)14-19(23-12-10-22(3)11-13-23)18-6-4-5-7-20(18)26-21/h4-9,14,16H,10-13,15H2,1-3H3