4-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(2-chloranyl-6-methyl-phenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(2-chloranyl-6-methyl-phenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-chloro-6-methyl-phenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-chloro-6-methylphenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-chloro-6-methylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-chloro-6-methyl-phenyl)-1,4-diazepane-1-carboxamide Formula: C20H20Cl2N4OS MolecularWeight: 435.37

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20Cl2N4OS/c1-13-4-2-5-15(22)18(13)24-19(27)25-8-3-9-26(11-10-25)20-23-16-7-6-14(21)12-17(16)28-20/h2,4-7,12H,3,8-11H2,1H3,(H,24,27)