N-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioyl]-3-phenethyloxy-benzamide

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]-2-methylanilino]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioyl]-3-phenethyloxybenzamide Traditional Name: N-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]thiocarbamoyl]-3-phenethyloxy-benzamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3)NC(=O)C4CC4

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3)NC(=O)C4CC4

InChI

InChI=1S/C27H27N3O3S/c1-18-23(28-25(31)20-13-14-20)11-6-12-24(18)29-27(34)30-26(32)21-9-5-10-22(17-21)33-16-15-19-7-3-2-4-8-19/h2-12,17,20H,13-16H2,1H3,(H,28,31)(H2,29,30,32,34)