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

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[(4-phenylazanylphenyl)carbamothioyl]benzamide Openeye Name: N-[(4-anilinophenyl)carbamothioyl]-3-bromo-4-isopentyloxy-benzamide CAS Name: N-[(4-anilinoanilino)-sulfanylidenemethyl]-3-bromo-4-(3-methylbutoxy)benzamide IUPAC Name: N-[(4-anilinophenyl)carbamothioyl]-3-bromo-4-(3-methylbutoxy)benzamide Traditional Name: N-[(4-anilinophenyl)thiocarbamoyl]-3-bromo-4-isoamoxy-benzamide Formula: C25H26BrN3O2S MolecularWeight: 512.46184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3)Br

InChI

InChI=1S/C25H26BrN3O2S/c1-17(2)14-15-31-23-13-8-18(16-22(23)26)24(30)29-25(32)28-21-11-9-20(10-12-21)27-19-6-4-3-5-7-19/h3-13,16-17,27H,14-15H2,1-2H3,(H2,28,29,30,32)