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

Systemtic Name: 3-bromanyl-4-ethoxy-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[(4-isopentyloxyphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[4-(3-methylbutoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[(4-isoamoxyphenyl)thiocarbamoyl]benzamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O3S/c1-4-26-19-10-5-15(13-18(19)22)20(25)24-21(28)23-16-6-8-17(9-7-16)27-12-11-14(2)3/h5-10,13-14H,4,11-12H2,1-3H3,(H2,23,24,25,28)