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

Systemtic Name: ethyl 5-(phenylmethyl)-2-[(1-propan-2-ylpiperidin-4-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(1-isopropyl-4-piperidyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[[(1-propan-2-yl-4-piperidinyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(1-propan-2-ylpiperidin-4-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(1-isopropyl-4-piperidyl)thiocarbamoylamino]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(=C1)CC2=CC=CC=C2)NC(=S)NC3CCN(CC3)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3CCN(CC3)C(C)C

InChI

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