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

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]-4-methylanilino]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)-4-methylphenyl]carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-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=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C)NC(=O)C3CC3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C)NC(=O)C3CC3

InChI

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