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

Systemtic Name: 3-bromanyl-N-[(3-ethoxyphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[(3-ethoxyphenyl)carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[(3-ethoxyanilino)-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[(3-ethoxyphenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-4-isoamoxy-N-(m-phenetylthiocarbamoyl)benzamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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