N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(3-thienylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(3-thiophenylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(3-thenyl)-1,4-diazepane-1-carbothioamide Formula: C21H29N3O2S2 MolecularWeight: 419.60386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CCNC(=S)N2CCCN(CC2)CC3=CSC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CCNC(=S)N2CCCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C21H29N3O2S2/c1-25-19-4-5-20(26-2)18(14-19)6-8-22-21(27)24-10-3-9-23(11-12-24)15-17-7-13-28-16-17/h4-5,7,13-14,16H,3,6,8-12,15H2,1-2H3,(H,22,27)