N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide

Systemtic Name: N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: 3-isobutoxy-N-[[4-[2-(methylamino)-2-oxo-ethyl]phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[2-(methylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: 3-isobutoxy-N-[[4-[2-keto-2-(methylamino)ethyl]phenyl]thiocarbamoyl]benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC(=O)NC

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC(=O)NC

InChI

InChI=1S/C21H25N3O3S/c1-14(2)13-27-18-6-4-5-16(12-18)20(26)24-21(28)23-17-9-7-15(8-10-17)11-19(25)22-3/h4-10,12,14H,11,13H2,1-3H3,(H,22,25)(H2,23,24,26,28)