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

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]-2-methylanilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]thiocarbamoyl]-4-hexoxy-benzamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)NC(=O)C3CC3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)NC(=O)C3CC3

InChI

InChI=1S/C25H31N3O3S/c1-3-4-5-6-16-31-20-14-12-19(13-15-20)24(30)28-25(32)27-22-9-7-8-21(17(22)2)26-23(29)18-10-11-18/h7-9,12-15,18H,3-6,10-11,16H2,1-2H3,(H,26,29)(H2,27,28,30,32)