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

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioyl]-2-ethoxy-benzamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]carbamothioyl]-2-ethoxy-benzamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]-4-methylanilino]-sulfanylidenemethyl]-2-ethoxybenzamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)-4-methylphenyl]carbamothioyl]-2-ethoxybenzamide Traditional Name: N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]thiocarbamoyl]-2-ethoxy-benzamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)C)NC(=O)C3CC3

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)C)NC(=O)C3CC3

InChI

InChI=1S/C21H23N3O3S/c1-3-27-18-7-5-4-6-16(18)20(26)24-21(28)22-15-11-8-13(2)17(12-15)23-19(25)14-9-10-14/h4-8,11-12,14H,3,9-10H2,1-2H3,(H,23,25)(H2,22,24,26,28)