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

Systemtic Name: methyl 5-methyl-4-phenyl-2-[(1-propan-2-ylpiperidin-4-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H29N3O2S2 MolecularWeight: 431.61456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2CCN(CC2)C(C)C)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2CCN(CC2)C(C)C)C(=O)OC)C3=CC=CC=C3

InChI

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