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

Systemtic Name: N-(2-methoxyethyl)-4-oxidanylidene-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(2-methoxyethyl)-4-oxo-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-(2-methoxyethyl)-4-oxo-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(2-methoxyethyl)-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-(2-methoxyethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O4S/c1-30-10-9-26(13-19-23-16-5-3-2-4-15(16)21(28)25-19)22(29)14-6-7-18-17(12-14)24-20(27)8-11-31-18/h2-7,12H,8-11,13H2,1H3,(H,24,27)(H,23,25,28)