2-[(3-methoxyphenyl)carbamothioylamino]-N-(2-pyridin-2-ylethyl)benzamide

Systemtic Name: 2-[(3-methoxyphenyl)carbamothioylamino]-N-(2-pyridin-2-ylethyl)benzamide Openeye Name: 2-[(3-methoxyphenyl)carbamothioylamino]-N-[2-(2-pyridyl)ethyl]benzamide CAS Name: 2-[[(3-methoxyanilino)-sulfanylidenemethyl]amino]-N-[2-(2-pyridinyl)ethyl]benzamide IUPAC Name: 2-[(3-methoxyphenyl)carbamothioylamino]-N-(2-pyridin-2-ylethyl)benzamide Traditional Name: 2-[(3-methoxyphenyl)thiocarbamoylamino]-N-[2-(2-pyridyl)ethyl]benzamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=N3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=N3

InChI

InChI=1S/C22H22N4O2S/c1-28-18-9-6-8-17(15-18)25-22(29)26-20-11-3-2-10-19(20)21(27)24-14-12-16-7-4-5-13-23-16/h2-11,13,15H,12,14H2,1H3,(H,24,27)(H2,25,26,29)