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

Systemtic Name: 4-(6-chloranyl-1,3-benzothiazol-2-yl)-N-cyclooctyl-1,4-diazepane-1-carbothioamide Openeye Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-cyclooctyl-1,4-diazepane-1-carbothioamide CAS Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-cyclooctyl-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-cyclooctyl-1,4-diazepane-1-carbothioamide Traditional Name: 4-(6-chloro-1,3-benzothiazol-2-yl)-N-cyclooctyl-1,4-diazepane-1-carbothioamide Formula: C21H29ClN4S2 MolecularWeight: 437.06476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=S)N2CCCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1CCCC(CCC1)NC(=S)N2CCCN(CC2)C3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C21H29ClN4S2/c22-16-9-10-18-19(15-16)28-21(24-18)26-12-6-11-25(13-14-26)20(27)23-17-7-4-2-1-3-5-8-17/h9-10,15,17H,1-8,11-14H2,(H,23,27)