3-bromanyl-N-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[4-[(N-ethylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[4-[ethyl(phenyl)carbamoyl]phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C26H26BrN3O3S MolecularWeight: 540.47194

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N(CC)C3=CC=CC=C3)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N(CC)C3=CC=CC=C3)Br

InChI

InChI=1S/C26H26BrN3O3S/c1-3-16-33-23-15-12-19(17-22(23)27)24(31)29-26(34)28-20-13-10-18(11-14-20)25(32)30(4-2)21-8-6-5-7-9-21/h5-15,17H,3-4,16H2,1-2H3,(H2,28,29,31,34)