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

Systemtic Name: ethyl 3-[[4-[3-[(4-imidazol-1-ylphenyl)carbamoyl]-6-methyl-pyridin-2-yl]piperidin-1-yl]carbothioylamino]butanoate Openeye Name: ethyl 3-[[4-[3-[(4-imidazol-1-ylphenyl)carbamoyl]-6-methyl-2-pyridyl]piperidine-1-carbothioyl]amino]butanoate CAS Name: 3-[[[4-[3-[[4-(1-imidazolyl)anilino]-oxomethyl]-6-methyl-2-pyridinyl]-1-piperidinyl]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[3-[(4-imidazol-1-ylphenyl)carbamoyl]-6-methylpyridin-2-yl]piperidine-1-carbothioyl]amino]butanoate Traditional Name: 3-[[4-[3-[(4-imidazol-1-ylphenyl)carbamoyl]-6-methyl-2-pyridyl]piperidine-1-carbothioyl]amino]butyric acid ethyl ester Formula: C28H34N6O3S MolecularWeight: 534.67296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H34N6O3S/c1-4-37-25(35)17-20(3)31-28(38)33-14-11-21(12-15-33)26-24(10-5-19(2)30-26)27(36)32-22-6-8-23(9-7-22)34-16-13-29-18-34/h5-10,13,16,18,20-21H,4,11-12,14-15,17H2,1-3H3,(H,31,38)(H,32,36)