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

Systemtic Name: N-methyl-4-oxidanylidene-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-methyl-4-oxo-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-methyl-4-oxo-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-methyl-4-oxo-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C20H18N4O3S/c1-24(11-17-21-14-5-3-2-4-13(14)19(26)23-17)20(27)12-6-7-16-15(10-12)22-18(25)8-9-28-16/h2-7,10H,8-9,11H2,1H3,(H,22,25)(H,21,23,26)