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

Systemtic Name: 3-ethoxy-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-ethoxy-N-[(4-isopentyloxyphenyl)carbamothioyl]benzamide CAS Name: 3-ethoxy-N-[[4-(3-methylbutoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-ethoxy-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-ethoxy-N-[(4-isoamoxyphenyl)thiocarbamoyl]benzamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-4-25-19-7-5-6-16(14-19)20(24)23-21(27)22-17-8-10-18(11-9-17)26-13-12-15(2)3/h5-11,14-15H,4,12-13H2,1-3H3,(H2,22,23,24,27)