ethyl 5-methyl-4-phenyl-2-[(1-propan-2-ylpiperidin-4-yl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[(1-propan-2-ylpiperidin-4-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[(1-isopropyl-4-piperidyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[[(1-propan-2-yl-4-piperidinyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-[(1-propan-2-ylpiperidin-4-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 2-[(1-isopropyl-4-piperidyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H31N3O2S2 MolecularWeight: 445.64114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3CCN(CC3)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3CCN(CC3)C(C)C

InChI

InChI=1S/C23H31N3O2S2/c1-5-28-22(27)20-19(17-9-7-6-8-10-17)16(4)30-21(20)25-23(29)24-18-11-13-26(14-12-18)15(2)3/h6-10,15,18H,5,11-14H2,1-4H3,(H2,24,25,29)