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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)N1CCC(CC1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H29N3O2S2/c1-15(2)25-11-9-17(10-12-25)23-22(28)24-20-19(21(26)27-3)14-18(29-20)13-16-7-5-4-6-8-16/h4-8,14-15,17H,9-13H2,1-3H3,(H2,23,24,28)