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

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)butan-1-one Formula: C21H22N2OS2 MolecularWeight: 382.54218

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2OS2/c1-15-13-14-23(17-8-3-5-10-19(17)25-15)21(24)12-6-11-20-22-16-7-2-4-9-18(16)26-20/h2-5,7-10,15H,6,11-14H2,1H3