3-bromanyl-4-hexoxy-N-[[2-[(4-phenylazanylphenyl)carbamoyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[2-[(4-phenylazanylphenyl)carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-[(4-anilinophenyl)carbamoyl]phenyl]carbamothioyl]-3-bromo-4-hexoxy-benzamide CAS Name: N-[[2-[(4-anilinoanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-bromo-4-hexoxybenzamide IUPAC Name: N-[[2-[(4-anilinophenyl)carbamoyl]phenyl]carbamothioyl]-3-bromo-4-hexoxybenzamide Traditional Name: N-[[2-[(4-anilinophenyl)carbamoyl]phenyl]thiocarbamoyl]-3-bromo-4-hexoxy-benzamide Formula: C33H33BrN4O3S MolecularWeight: 645.60912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4)Br

InChI

InChI=1S/C33H33BrN4O3S/c1-2-3-4-10-21-41-30-20-15-23(22-28(30)34)31(39)38-33(42)37-29-14-9-8-13-27(29)32(40)36-26-18-16-25(17-19-26)35-24-11-6-5-7-12-24/h5-9,11-20,22,35H,2-4,10,21H2,1H3,(H,36,40)(H2,37,38,39,42)