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

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioyl]-4-(2-phenoxyethoxy)benzamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]carbamothioyl]-4-(2-phenoxyethoxy)benzamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]-4-methylanilino]-sulfanylidenemethyl]-4-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)-4-methylphenyl]carbamothioyl]-4-(2-phenoxyethoxy)benzamide Traditional Name: N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]thiocarbamoyl]-4-(2-phenoxyethoxy)benzamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCOC3=CC=CC=C3)NC(=O)C4CC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCOC3=CC=CC=C3)NC(=O)C4CC4

InChI

InChI=1S/C27H27N3O4S/c1-18-7-12-21(17-24(18)29-25(31)19-8-9-19)28-27(35)30-26(32)20-10-13-23(14-11-20)34-16-15-33-22-5-3-2-4-6-22/h2-7,10-14,17,19H,8-9,15-16H2,1H3,(H,29,31)(H2,28,30,32,35)