2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1H-quinazolin-4-one

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1H-quinazolin-4-one Openeye Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1H-quinazolin-4-one CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1H-quinazolin-4-one IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1H-quinazolin-4-one Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1H-quinazolin-4-one Formula: C18H17N3OS MolecularWeight: 323.41208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C18H17N3OS/c22-18-13-6-1-2-7-14(13)19-17(20-18)12-21-10-5-11-23-16-9-4-3-8-15(16)21/h1-4,6-9H,5,10-12H2,(H,19,20,22)