N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(2-furylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(2-furanylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(2-furfuryl)-1,4-diazepane-1-carbothioamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CCNC(=S)N2CCCN(CC2)CC3=CC=CO3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CCNC(=S)N2CCCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C21H29N3O3S/c1-25-18-6-7-20(26-2)17(15-18)8-9-22-21(28)24-11-4-10-23(12-13-24)16-19-5-3-14-27-19/h3,5-7,14-15H,4,8-13,16H2,1-2H3,(H,22,28)