4-ethyl-2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-5-methyl-thiophene-3-carboxamide

Systemtic Name: 4-ethyl-2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-5-methyl-thiophene-3-carboxamide Openeye Name: 4-ethyl-2-[(4-heptoxybenzoyl)carbamothioylamino]-5-methyl-thiophene-3-carboxamide CAS Name: 4-ethyl-2-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxamide IUPAC Name: 4-ethyl-2-[(4-heptoxybenzoyl)carbamothioylamino]-5-methylthiophene-3-carboxamide Traditional Name: 4-ethyl-2-[(4-heptoxybenzoyl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C)CC)C(=O)N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=C(S2)C)CC)C(=O)N

InChI

InChI=1S/C23H31N3O3S2/c1-4-6-7-8-9-14-29-17-12-10-16(11-13-17)21(28)25-23(30)26-22-19(20(24)27)18(5-2)15(3)31-22/h10-13H,4-9,14H2,1-3H3,(H2,24,27)(H2,25,26,28,30)