ethyl 5-(phenylmethyl)-2-[(1-propylpiperidin-4-yl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-(phenylmethyl)-2-[(1-propylpiperidin-4-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(1-propyl-4-piperidyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[[(1-propyl-4-piperidinyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(1-propylpiperidin-4-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(1-propyl-4-piperidyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C23H31N3O2S2 MolecularWeight: 445.64114

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCN1CCC(CC1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H31N3O2S2/c1-3-12-26-13-10-18(11-14-26)24-23(29)25-21-20(22(27)28-4-2)16-19(30-21)15-17-8-6-5-7-9-17/h5-9,16,18H,3-4,10-15H2,1-2H3,(H2,24,25,29)