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

Systemtic Name: 3-bromanyl-N-[(3-cyanophenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[(3-cyanophenyl)carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[(3-cyanoanilino)-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[(3-cyanophenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[(3-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=CC(=C2)C#N)Br

Isomeric SMILES

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

InChI

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