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

Systemtic Name: ethyl 5-phenyl-2-[(1-propan-2-ylpiperidin-4-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[(1-isopropyl-4-piperidyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[[(1-propan-2-yl-4-piperidinyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-[(1-propan-2-ylpiperidin-4-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 2-[(1-isopropyl-4-piperidyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H29N3O2S2 MolecularWeight: 431.61456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2S2/c1-4-27-21(26)18-14-19(16-8-6-5-7-9-16)29-20(18)24-22(28)23-17-10-12-25(13-11-17)15(2)3/h5-9,14-15,17H,4,10-13H2,1-3H3,(H2,23,24,28)