N-[2,5-diethoxy-4-[(phenylmethyl)carbamothioylamino]phenyl]-2-methyl-propanamide

Systemtic Name: N-[2,5-diethoxy-4-[(phenylmethyl)carbamothioylamino]phenyl]-2-methyl-propanamide Openeye Name: N-[4-(benzylcarbamothioylamino)-2,5-diethoxy-phenyl]-2-methyl-propanamide CAS Name: N-[2,5-diethoxy-4-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]phenyl]-2-methylpropanamide IUPAC Name: N-[4-(benzylcarbamothioylamino)-2,5-diethoxyphenyl]-2-methylpropanamide Traditional Name: N-[4-(benzylthiocarbamoylamino)-2,5-diethoxy-phenyl]-2-methyl-propionamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C(C)C)OCC)NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C(C)C)OCC)NC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C22H29N3O3S/c1-5-27-19-13-18(25-22(29)23-14-16-10-8-7-9-11-16)20(28-6-2)12-17(19)24-21(26)15(3)4/h7-13,15H,5-6,14H2,1-4H3,(H,24,26)(H2,23,25,29)