[4-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone

Systemtic Name: [4-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone Openeye Name: [4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone CAS Name: [4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-(3,4-dimethylphenyl)methanone IUPAC Name: [4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone Traditional Name: [4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazino]-(3,4-dimethylphenyl)methanone Formula: C21H22ClN3O2S MolecularWeight: 415.93628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=CC(=C4S3)Cl)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(C=CC(=C4S3)Cl)OC)C

InChI

InChI=1S/C21H22ClN3O2S/c1-13-4-5-15(12-14(13)2)20(26)24-8-10-25(11-9-24)21-23-18-17(27-3)7-6-16(22)19(18)28-21/h4-7,12H,8-11H2,1-3H3