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

Systemtic Name: ethyl N-[4-[3-[(4-imidazol-1-ylphenyl)carbamoyl]-6-methyl-pyridin-2-yl]piperidin-1-yl]carbothioylcarbamate Openeye Name: ethyl N-[4-[3-[(4-imidazol-1-ylphenyl)carbamoyl]-6-methyl-2-pyridyl]piperidine-1-carbothioyl]carbamate CAS Name: N-[[4-[3-[[4-(1-imidazolyl)anilino]-oxomethyl]-6-methyl-2-pyridinyl]-1-piperidinyl]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[3-[(4-imidazol-1-ylphenyl)carbamoyl]-6-methylpyridin-2-yl]piperidine-1-carbothioyl]carbamate Traditional Name: N-[4-[3-[(4-imidazol-1-ylphenyl)carbamoyl]-6-methyl-2-pyridyl]piperidine-1-carbothioyl]carbamic acid ethyl ester Formula: C25H28N6O3S MolecularWeight: 492.59322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N6O3S/c1-3-34-25(33)29-24(35)30-13-10-18(11-14-30)22-21(9-4-17(2)27-22)23(32)28-19-5-7-20(8-6-19)31-15-12-26-16-31/h4-9,12,15-16,18H,3,10-11,13-14H2,1-2H3,(H,28,32)(H,29,33,35)