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

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]-4-methylanilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)-4-methylphenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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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)OCCC3=CC=CC=C3)NC(=O)C4CC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3)NC(=O)C4CC4

InChI

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