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

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(2-furylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-furanylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(2-furfuryl)-1,4-diazepane-1-carbothioamide Formula: C19H24ClN3O3S MolecularWeight: 409.93016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N2CCCN(CC2)CC3=CC=CO3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N2CCCN(CC2)CC3=CC=CO3)OC)Cl

InChI

InChI=1S/C19H24ClN3O3S/c1-24-17-12-16(18(25-2)11-15(17)20)21-19(27)23-7-4-6-22(8-9-23)13-14-5-3-10-26-14/h3,5,10-12H,4,6-9,13H2,1-2H3,(H,21,27)