methyl 2-(octylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(octylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(octylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(octylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(octylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(octylthiocarbamoylamino)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)CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCCCCCCNC(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C22H30N2O2S2/c1-3-4-5-6-7-11-14-23-22(27)24-20-19(21(25)26-2)16-18(28-20)15-17-12-9-8-10-13-17/h8-10,12-13,16H,3-7,11,14-15H2,1-2H3,(H2,23,24,27)