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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=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

CC(C)COC1=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/c1-20(2)19-39-28-17-12-21(18-26(28)32)29(37)36-31(40)35-27-11-7-6-10-25(27)30(38)34-24-15-13-23(14-16-24)33-22-8-4-3-5-9-22/h3-18,20,33H,19H2,1-2H3,(H,34,38)(H2,35,36,37,40)