ethyl 2-[[4-[3-[(4-imidazol-1-ylphenyl)carbamoyl]-6-methyl-pyridin-2-yl]piperidin-1-yl]carbothioylamino]propanoate

Systemtic Name: ethyl 2-[[4-[3-[(4-imidazol-1-ylphenyl)carbamoyl]-6-methyl-pyridin-2-yl]piperidin-1-yl]carbothioylamino]propanoate Openeye Name: ethyl 2-[[4-[3-[(4-imidazol-1-ylphenyl)carbamoyl]-6-methyl-2-pyridyl]piperidine-1-carbothioyl]amino]propanoate CAS Name: 2-[[[4-[3-[[4-(1-imidazolyl)anilino]-oxomethyl]-6-methyl-2-pyridinyl]-1-piperidinyl]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[3-[(4-imidazol-1-ylphenyl)carbamoyl]-6-methylpyridin-2-yl]piperidine-1-carbothioyl]amino]propanoate Traditional Name: 2-[[4-[3-[(4-imidazol-1-ylphenyl)carbamoyl]-6-methyl-2-pyridyl]piperidine-1-carbothioyl]amino]propionic acid ethyl ester Formula: C27H32N6O3S MolecularWeight: 520.64638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC(=S)N1CCC(CC1)C2=C(C=CC(=N2)C)C(=O)NC3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

CCOC(=O)C(C)NC(=S)N1CCC(CC1)C2=C(C=CC(=N2)C)C(=O)NC3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C27H32N6O3S/c1-4-36-26(35)19(3)30-27(37)32-14-11-20(12-15-32)24-23(10-5-18(2)29-24)25(34)31-21-6-8-22(9-7-21)33-16-13-28-17-33/h5-10,13,16-17,19-20H,4,11-12,14-15H2,1-3H3,(H,30,37)(H,31,34)