N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-thiazolylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Formula: C18H23ClN4O2S2 MolecularWeight: 426.98382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N2CCCN(CC2)CC3=NC=CS3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N2CCCN(CC2)CC3=NC=CS3)OC)Cl

InChI

InChI=1S/C18H23ClN4O2S2/c1-24-15-11-14(16(25-2)10-13(15)19)21-18(26)23-6-3-5-22(7-8-23)12-17-20-4-9-27-17/h4,9-11H,3,5-8,12H2,1-2H3,(H,21,26)