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

Systemtic Name: 4-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-1,4-diazepane-1-carbothioamide Formula: C19H18Cl2N4S2 MolecularWeight: 437.40902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=CC(=CC=C2)Cl)C3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC(=CC=C2)Cl)C3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C19H18Cl2N4S2/c20-13-3-1-4-15(11-13)22-18(26)24-7-2-8-25(10-9-24)19-23-16-6-5-14(21)12-17(16)27-19/h1,3-6,11-12H,2,7-10H2,(H,22,26)