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

Systemtic Name: 4-(6-chloranyl-1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-isobutyl-1,4-diazepane-1-carbothioamide CAS Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-isobutyl-1,4-diazepane-1-carbothioamide Formula: C17H23ClN4S2 MolecularWeight: 382.97432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)N1CCCN(CC1)C2=NC3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

CC(C)CNC(=S)N1CCCN(CC1)C2=NC3=C(S2)C=C(C=C3)Cl

InChI

InChI=1S/C17H23ClN4S2/c1-12(2)11-19-16(23)21-6-3-7-22(9-8-21)17-20-14-5-4-13(18)10-15(14)24-17/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,19,23)