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

Systemtic Name: 3-bromanyl-4-ethoxy-N-[[2-[(4-phenylazanylphenyl)carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-[(4-anilinophenyl)carbamoyl]phenyl]carbamothioyl]-3-bromo-4-ethoxy-benzamide CAS Name: N-[[2-[(4-anilinoanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-bromo-4-ethoxybenzamide IUPAC Name: N-[[2-[(4-anilinophenyl)carbamoyl]phenyl]carbamothioyl]-3-bromo-4-ethoxybenzamide Traditional Name: N-[[2-[(4-anilinophenyl)carbamoyl]phenyl]thiocarbamoyl]-3-bromo-4-ethoxy-benzamide Formula: C29H25BrN4O3S MolecularWeight: 589.5028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C29H25BrN4O3S/c1-2-37-26-17-12-19(18-24(26)30)27(35)34-29(38)33-25-11-7-6-10-23(25)28(36)32-22-15-13-21(14-16-22)31-20-8-4-3-5-9-20/h3-18,31H,2H2,1H3,(H,32,36)(H2,33,34,35,38)