4-oxidanylidene-N-(9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-(9-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-(9-keto-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC3=C(C=C(C=C3)NC(=O)C4=CC5=C(C=C4)SCCC(=O)N5)C(=O)N2C1

Isomeric SMILES

C1CC2=NC3=C(C=C(C=C3)NC(=O)C4=CC5=C(C=C4)SCCC(=O)N5)C(=O)N2C1

InChI

InChI=1S/C21H18N4O3S/c26-19-7-9-29-17-6-3-12(10-16(17)24-19)20(27)22-13-4-5-15-14(11-13)21(28)25-8-1-2-18(25)23-15/h3-6,10-11H,1-2,7-9H2,(H,22,27)(H,24,26)