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

Systemtic Name: 4-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(3-chloranyl-2-methyl-phenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-chloro-2-methyl-phenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-chloro-2-methylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-chloro-2-methylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-chloro-2-methyl-phenyl)-1,4-diazepane-1-carbothioamide Formula: C20H20Cl2N4S2 MolecularWeight: 451.4356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C20H20Cl2N4S2/c1-13-15(22)4-2-5-16(13)23-19(27)25-8-3-9-26(11-10-25)20-24-17-7-6-14(21)12-18(17)28-20/h2,4-7,12H,3,8-11H2,1H3,(H,23,27)