2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide

Systemtic Name: 2-[(4-heptoxyphenyl)carbonylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide Openeye Name: 2-[(4-heptoxybenzoyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 2-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxamide IUPAC Name: 2-[(4-heptoxybenzoyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxamide Traditional Name: 2-[(4-heptoxybenzoyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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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)C)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S2/c1-4-5-6-7-8-13-28-17-11-9-16(10-12-17)20(27)24-22(29)25-21-18(19(23)26)14(2)15(3)30-21/h9-12H,4-8,13H2,1-3H3,(H2,23,26)(H2,24,25,27,29)