N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-3-(3-methylbutoxy)benzamide

Systemtic Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-3-(3-methylbutoxy)benzamide Openeye Name: 3-isopentyloxy-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-(3-methylbutoxy)-N-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]-3-(3-methylbutoxy)benzamide Traditional Name: 3-isoamoxy-N-[[4-(isovalerylamino)phenyl]thiocarbamoyl]benzamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC(C)C

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC(C)C

InChI

InChI=1S/C24H31N3O3S/c1-16(2)12-13-30-21-7-5-6-18(15-21)23(29)27-24(31)26-20-10-8-19(9-11-20)25-22(28)14-17(3)4/h5-11,15-17H,12-14H2,1-4H3,(H,25,28)(H2,26,27,29,31)