2-[[cyclopentyl-[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl]amino]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[[cyclopentyl-[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl]amino]-N-cyclopropyl-ethanamide Openeye Name: 2-[[cyclopentyl-[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl]amino]-N-cyclopropyl-acetamide CAS Name: 2-[[[cyclopentyl-[(3,4,5-trimethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-N-cyclopropylacetamide IUPAC Name: 2-[[cyclopentyl-[(3,4,5-trimethoxyphenyl)methyl]carbamothioyl]amino]-N-cyclopropylacetamide Traditional Name: 2-[[cyclopentyl-(3,4,5-trimethoxybenzyl)thiocarbamoyl]amino]-N-cyclopropyl-acetamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN(C2CCCC2)C(=S)NCC(=O)NC3CC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN(C2CCCC2)C(=S)NCC(=O)NC3CC3

InChI

InChI=1S/C21H31N3O4S/c1-26-17-10-14(11-18(27-2)20(17)28-3)13-24(16-6-4-5-7-16)21(29)22-12-19(25)23-15-8-9-15/h10-11,15-16H,4-9,12-13H2,1-3H3,(H,22,29)(H,23,25)