N-[(2-aminocarbonylphenyl)carbamothioyl]-3-bromanyl-4-(3-methylbutoxy)benzamide

Systemtic Name: N-[(2-aminocarbonylphenyl)carbamothioyl]-3-bromanyl-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[(2-carbamoylphenyl)carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[(2-carbamoylanilino)-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[(2-carbamoylphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[(2-carbamoylphenyl)thiocarbamoyl]-4-isoamoxy-benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N)Br

InChI

InChI=1S/C20H22BrN3O3S/c1-12(2)9-10-27-17-8-7-13(11-15(17)21)19(26)24-20(28)23-16-6-4-3-5-14(16)18(22)25/h3-8,11-12H,9-10H2,1-2H3,(H2,22,25)(H2,23,24,26,28)