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

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]-2-methylanilino]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]thiocarbamoyl]benzamide Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)NC(=O)C3CC3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)NC(=O)C3CC3

InChI

InChI=1S/C24H29N3O3S/c1-3-4-5-15-30-19-13-11-18(12-14-19)23(29)27-24(31)26-21-8-6-7-20(16(21)2)25-22(28)17-9-10-17/h6-8,11-14,17H,3-5,9-10,15H2,1-2H3,(H,25,28)(H2,26,27,29,31)