N-(1,3-benzodioxol-5-ylmethyl)-11-methyl-9-oxidanylidene-6-quinoxalin-6-yl-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-11-methyl-9-oxidanylidene-6-quinoxalin-6-yl-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-11-methyl-9-oxo-6-quinoxalin-6-yl-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-11-methyl-9-oxo-6-(6-quinoxalinyl)-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-11-methyl-9-oxo-6-quinoxalin-6-yl-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide Traditional Name: 9-keto-11-methyl-N-piperonyl-6-quinoxalin-6-yl-6,7-dihydropyrido[2,1-d][1,5]benzothiazepine-8-carboxamide Formula: C31H24N4O4S MolecularWeight: 548.61166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C2N1C3=CC=CC=C3SC(C2)C4=CC5=NC=CN=C5C=C4)C(=O)NCC6=CC7=C(C=C6)OCO7

Isomeric SMILES

CC1=CC(=O)C(=C2N1C3=CC=CC=C3SC(C2)C4=CC5=NC=CN=C5C=C4)C(=O)NCC6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C31H24N4O4S/c1-18-12-25(36)30(31(37)34-16-19-6-9-26-27(13-19)39-17-38-26)24-15-29(40-28-5-3-2-4-23(28)35(18)24)20-7-8-21-22(14-20)33-11-10-32-21/h2-14,29H,15-17H2,1H3,(H,34,37)