methyl 3-[[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]carbothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]carbothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-[1-[(4-isopropylphenyl)methyl]imidazol-2-yl]piperidine-1-carbothioyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[4-[1-[(4-propan-2-ylphenyl)methyl]-2-imidazolyl]-1-piperidinyl]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidine-1-carbothioyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[4-[1-(4-isopropylbenzyl)imidazol-2-yl]piperidine-1-carbothioyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C25H30N4O2S2 MolecularWeight: 482.6613

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2C=CN=C2C3CCN(CC3)C(=S)NC4=C(SC=C4)C(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2C=CN=C2C3CCN(CC3)C(=S)NC4=C(SC=C4)C(=O)OC

InChI

InChI=1S/C25H30N4O2S2/c1-17(2)19-6-4-18(5-7-19)16-29-14-11-26-23(29)20-8-12-28(13-9-20)25(32)27-21-10-15-33-22(21)24(30)31-3/h4-7,10-11,14-15,17,20H,8-9,12-13,16H2,1-3H3,(H,27,32)