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

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]-4-methylanilino]-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)-4-methylphenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide Traditional Name: N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]thiocarbamoyl]-3-(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(=CC=C2)OCCOC3=CC=CC=C3)NC(=O)C4CC4

Isomeric SMILES

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

InChI

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