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

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(3-thienylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(3-thiophenylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(3-thenyl)-1,4-diazepane-1-carbothioamide Formula: C19H24ClN3O2S2 MolecularWeight: 425.99576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N2CCCN(CC2)CC3=CSC=C3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N2CCCN(CC2)CC3=CSC=C3)OC)Cl

InChI

InChI=1S/C19H24ClN3O2S2/c1-24-17-11-16(18(25-2)10-15(17)20)21-19(26)23-6-3-5-22(7-8-23)12-14-4-9-27-13-14/h4,9-11,13H,3,5-8,12H2,1-2H3,(H,21,26)