methyl 5-methyl-2-(octylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-(octylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-(octylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(octylamino)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-(octylcarbamothioylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-(octylthiocarbamoylamino)-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H30N2O2S2 MolecularWeight: 418.6158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=S)NC1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCCCCCCNC(=S)NC1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C22H30N2O2S2/c1-4-5-6-7-8-12-15-23-22(27)24-20-19(21(25)26-3)18(16(2)28-20)17-13-10-9-11-14-17/h9-11,13-14H,4-8,12,15H2,1-3H3,(H2,23,24,27)