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

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[[2-[(4-phenylazanylphenyl)carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-[(4-anilinophenyl)carbamoyl]phenyl]carbamothioyl]-3-bromo-4-isopentyloxy-benzamide CAS Name: N-[[2-[(4-anilinoanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-bromo-4-(3-methylbutoxy)benzamide IUPAC Name: N-[[2-[(4-anilinophenyl)carbamoyl]phenyl]carbamothioyl]-3-bromo-4-(3-methylbutoxy)benzamide Traditional Name: N-[[2-[(4-anilinophenyl)carbamoyl]phenyl]thiocarbamoyl]-3-bromo-4-isoamoxy-benzamide Formula: C32H31BrN4O3S MolecularWeight: 631.58254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)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

CC(C)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/C32H31BrN4O3S/c1-21(2)18-19-40-29-17-12-22(20-27(29)33)30(38)37-32(41)36-28-11-7-6-10-26(28)31(39)35-25-15-13-24(14-16-25)34-23-8-4-3-5-9-23/h3-17,20-21,34H,18-19H2,1-2H3,(H,35,39)(H2,36,37,38,41)