N-[1-azanylidene-1-[carbamothioyl(furan-2-ylmethyl)amino]-3-phenylmethoxy-propan-2-yl]-2,2-dimethyl-propanamide

Systemtic Name: N-[1-azanylidene-1-[carbamothioyl(furan-2-ylmethyl)amino]-3-phenylmethoxy-propan-2-yl]-2,2-dimethyl-propanamide Openeye Name: N-[1-(benzyloxymethyl)-2-[carbamothioyl(2-furylmethyl)amino]-2-imino-ethyl]-2,2-dimethyl-propanamide CAS Name: N-[1-[carbamothioyl(2-furanylmethyl)amino]-1-imino-3-phenylmethoxypropan-2-yl]-2,2-dimethylpropanamide IUPAC Name: N-[1-[carbamothioyl(furan-2-ylmethyl)amino]-1-imino-3-phenylmethoxypropan-2-yl]-2,2-dimethylpropanamide Traditional Name: N-[1-(benzoxymethyl)-2-[2-furfuryl(thiocarbamoyl)amino]-2-imino-ethyl]-2,2-dimethyl-propionamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(COCC1=CC=CC=C1)C(=N)N(CC2=CC=CO2)C(=S)N

Isomeric SMILES

CC(C)(C)C(=O)NC(COCC1=CC=CC=C1)C(=N)N(CC2=CC=CO2)C(=S)N

InChI

InChI=1S/C21H28N4O3S/c1-21(2,3)19(26)24-17(14-27-13-15-8-5-4-6-9-15)18(22)25(20(23)29)12-16-10-7-11-28-16/h4-11,17,22H,12-14H2,1-3H3,(H2,23,29)(H,24,26)