[4-(6-chloranyl-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(2-methoxy-4-methyl-phenyl)methanone

Systemtic Name: [4-(6-chloranyl-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(2-methoxy-4-methyl-phenyl)methanone Openeye Name: [4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(2-methoxy-4-methyl-phenyl)methanone CAS Name: [4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(2-methoxy-4-methylphenyl)methanone IUPAC Name: [4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(2-methoxy-4-methylphenyl)methanone Traditional Name: [4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(2-methoxy-4-methyl-phenyl)methanone Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N2CCCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N2CCCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl)OC

InChI

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