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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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