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

Systemtic Name: 4-(furan-2-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: 4-(2-furylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: 4-(2-furanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(furan-2-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: 4-(2-furfuryl)-N-(3,4,5-trimethoxybenzyl)-1,4-diazepane-1-carbothioamide Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=S)N2CCCN(CC2)CC3=CC=CO3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=S)N2CCCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C21H29N3O4S/c1-25-18-12-16(13-19(26-2)20(18)27-3)14-22-21(29)24-8-5-7-23(9-10-24)15-17-6-4-11-28-17/h4,6,11-13H,5,7-10,14-15H2,1-3H3,(H,22,29)