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

Systemtic Name: 4-(6-chloranyl-1,3-benzothiazol-2-yl)-N-phenyl-1,4-diazepane-1-carbothioamide Openeye Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-phenyl-1,4-diazepane-1-carbothioamide CAS Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-phenyl-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-phenyl-1,4-diazepane-1-carbothioamide Traditional Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-phenyl-1,4-diazepane-1-carbothioamide Formula: C19H19ClN4S2 MolecularWeight: 402.96396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4S2/c20-14-7-8-16-17(13-14)26-19(22-16)24-10-4-9-23(11-12-24)18(25)21-15-5-2-1-3-6-15/h1-3,5-8,13H,4,9-12H2,(H,21,25)