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

Systemtic Name: methyl 5-phenyl-2-[(1-propylpiperidin-4-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-[(1-propyl-4-piperidyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[[(1-propyl-4-piperidinyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-[(1-propylpiperidin-4-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[(1-propyl-4-piperidyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S2/c1-3-11-24-12-9-16(10-13-24)22-21(27)23-19-17(20(25)26-2)14-18(28-19)15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3,(H2,22,23,27)