N-tert-butyl-2-[4-[2-(4-methoxyphenyl)ethylcarbamothioyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(4-methoxyphenyl)ethylcarbamothioyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(4-methoxyphenyl)ethylcarbamothioyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[2-(4-methoxyphenyl)ethylamino]-sulfanylidenemethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(4-methoxyphenyl)ethylcarbamothioyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-(4-methoxyphenyl)ethylthiocarbamoyl]-1,4-diazepan-1-yl]acetamide Formula: C21H34N4O2S MolecularWeight: 406.58526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCCN(CC1)C(=S)NCCC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCCN(CC1)C(=S)NCCC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H34N4O2S/c1-21(2,3)23-19(26)16-24-12-5-13-25(15-14-24)20(28)22-11-10-17-6-8-18(27-4)9-7-17/h6-9H,5,10-16H2,1-4H3,(H,22,28)(H,23,26)