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

Systemtic Name: 3-bromanyl-N-[(4-cyanophenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[(4-cyanophenyl)carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[(4-cyanoanilino)-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[(4-cyanophenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[(4-cyanophenyl)thiocarbamoyl]-4-isoamoxy-benzamide Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O2S/c1-13(2)9-10-26-18-8-5-15(11-17(18)21)19(25)24-20(27)23-16-6-3-14(12-22)4-7-16/h3-8,11,13H,9-10H2,1-2H3,(H2,23,24,25,27)