4-(1,3-benzothiazol-2-yl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)butan-1-one Formula: C20H20N2OS2 MolecularWeight: 368.5156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N2OS2/c23-20(22-13-6-14-24-18-10-4-2-8-16(18)22)12-5-11-19-21-15-7-1-3-9-17(15)25-19/h1-4,7-10H,5-6,11-14H2