3-bromanyl-4-(3-methylbutoxy)-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(allylcarbamoyl)phenyl]carbamothioyl]-3-bromo-4-isopentyloxy-benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[2-[oxo-(prop-2-enylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[2-(allylcarbamoyl)phenyl]thiocarbamoyl]-3-bromo-4-isoamoxy-benzamide Formula: C23H26BrN3O3S MolecularWeight: 504.43984

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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)NCC=C)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC=C)Br

InChI

InChI=1S/C23H26BrN3O3S/c1-4-12-25-22(29)17-7-5-6-8-19(17)26-23(31)27-21(28)16-9-10-20(18(24)14-16)30-13-11-15(2)3/h4-10,14-15H,1,11-13H2,2-3H3,(H,25,29)(H2,26,27,28,31)