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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)C)NC(=O)C3CC3

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)C)NC(=O)C3CC3

InChI

InChI=1S/C24H29N3O3S/c1-3-4-7-14-30-21-9-6-5-8-19(21)23(29)27-24(31)25-18-13-10-16(2)20(15-18)26-22(28)17-11-12-17/h5-6,8-10,13,15,17H,3-4,7,11-12,14H2,1-2H3,(H,26,28)(H2,25,27,29,31)