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

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

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C)NC(=O)C3CC3

InChI

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