4-(1,3-thiazol-2-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-(1,3-thiazol-2-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: 4-(thiazol-2-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: 4-(2-thiazolylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(1,3-thiazol-2-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: 4-(thiazol-2-ylmethyl)-N-(3,4,5-trimethoxybenzyl)-1,4-diazepane-1-carbothioamide Formula: C20H28N4O3S2 MolecularWeight: 436.59132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=S)N2CCCN(CC2)CC3=NC=CS3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=S)N2CCCN(CC2)CC3=NC=CS3

InChI

InChI=1S/C20H28N4O3S2/c1-25-16-11-15(12-17(26-2)19(16)27-3)13-22-20(28)24-7-4-6-23(8-9-24)14-18-21-5-10-29-18/h5,10-12H,4,6-9,13-14H2,1-3H3,(H,22,28)