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

Systemtic Name: [4-(6-chloranyl-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(4-methylphenyl)methanone Openeye Name: [4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(p-tolyl)methanone CAS Name: [4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(4-methylphenyl)methanone IUPAC Name: [4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(4-methylphenyl)methanone Traditional Name: [4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(p-tolyl)methanone Formula: C20H20ClN3OS MolecularWeight: 385.9103

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3OS/c1-14-3-5-15(6-4-14)19(25)23-9-2-10-24(12-11-23)20-22-17-8-7-16(21)13-18(17)26-20/h3-8,13H,2,9-12H2,1H3