4-(3-methylbutoxy)-N-[(3-propoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 4-(3-methylbutoxy)-N-[(3-propoxyphenyl)carbamothioyl]benzamide Openeye Name: 4-isopentyloxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide CAS Name: 4-(3-methylbutoxy)-N-[(3-propoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-(3-methylbutoxy)-N-[(3-propoxyphenyl)carbamothioyl]benzamide Traditional Name: 4-isoamoxy-N-[(3-propoxyphenyl)thiocarbamoyl]benzamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCC(C)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCC(C)C

InChI

InChI=1S/C22H28N2O3S/c1-4-13-26-20-7-5-6-18(15-20)23-22(28)24-21(25)17-8-10-19(11-9-17)27-14-12-16(2)3/h5-11,15-16H,4,12-14H2,1-3H3,(H2,23,24,25,28)