N-[(3-bromophenyl)carbamothioyl]-4-heptoxy-benzamide

Systemtic Name: N-[(3-bromophenyl)carbamothioyl]-4-heptoxy-benzamide Openeye Name: N-[(3-bromophenyl)carbamothioyl]-4-heptoxy-benzamide CAS Name: N-[(3-bromoanilino)-sulfanylidenemethyl]-4-heptoxybenzamide IUPAC Name: N-[(3-bromophenyl)carbamothioyl]-4-heptoxybenzamide Traditional Name: N-[(3-bromophenyl)thiocarbamoyl]-4-heptoxy-benzamide Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)Br

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C21H25BrN2O2S/c1-2-3-4-5-6-14-26-19-12-10-16(11-13-19)20(25)24-21(27)23-18-9-7-8-17(22)15-18/h7-13,15H,2-6,14H2,1H3,(H2,23,24,25,27)