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

Systemtic Name: 3-bromanyl-4-butoxy-N-[[2-[(4-phenylazanylphenyl)carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-[(4-anilinophenyl)carbamoyl]phenyl]carbamothioyl]-3-bromo-4-butoxy-benzamide CAS Name: N-[[2-[(4-anilinoanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-bromo-4-butoxybenzamide IUPAC Name: N-[[2-[(4-anilinophenyl)carbamoyl]phenyl]carbamothioyl]-3-bromo-4-butoxybenzamide Traditional Name: N-[[2-[(4-anilinophenyl)carbamoyl]phenyl]thiocarbamoyl]-3-bromo-4-butoxy-benzamide Formula: C31H29BrN4O3S MolecularWeight: 617.55596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=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

CCCCOC1=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/C31H29BrN4O3S/c1-2-3-19-39-28-18-13-21(20-26(28)32)29(37)36-31(40)35-27-12-8-7-11-25(27)30(38)34-24-16-14-23(15-17-24)33-22-9-5-4-6-10-22/h4-18,20,33H,2-3,19H2,1H3,(H,34,38)(H2,35,36,37,40)