3-bromanyl-N-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide

Systemtic Name: 3-bromanyl-N-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[3-[[cyclopropyl(oxo)methyl]amino]-2-methylanilino]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]thiocarbamoyl]-4-isoamoxy-benzamide Formula: C24H28BrN3O3S MolecularWeight: 518.46642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC(C)C)Br)NC(=O)C3CC3

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC(C)C)Br)NC(=O)C3CC3

InChI

InChI=1S/C24H28BrN3O3S/c1-14(2)11-12-31-21-10-9-17(13-18(21)25)23(30)28-24(32)27-20-6-4-5-19(15(20)3)26-22(29)16-7-8-16/h4-6,9-10,13-14,16H,7-8,11-12H2,1-3H3,(H,26,29)(H2,27,28,30,32)