ethyl 4-[2-[1-[4-(carbamothioylamino)phenyl]carbonylpiperidin-4-yl]-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[1-[4-(carbamothioylamino)phenyl]carbonylpiperidin-4-yl]-6-methyl-pyridin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-[4-(carbamothioylamino)benzoyl]-4-piperidyl]-6-methyl-pyridine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[2-[1-[[4-(carbamothioylamino)phenyl]-oxomethyl]-4-piperidinyl]-6-methyl-3-pyridinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-[4-(carbamothioylamino)benzoyl]piperidin-4-yl]-6-methylpyridine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[6-methyl-2-[1-(4-thioureidobenzoyl)-4-piperidyl]nicotinoyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H34N6O4S MolecularWeight: 538.66166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)C4=CC=C(C=C4)NC(=S)N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)C4=CC=C(C=C4)NC(=S)N

InChI

InChI=1S/C27H34N6O4S/c1-3-37-27(36)33-16-14-32(15-17-33)25(35)22-9-4-18(2)29-23(22)19-10-12-31(13-11-19)24(34)20-5-7-21(8-6-20)30-26(28)38/h4-9,19H,3,10-17H2,1-2H3,(H3,28,30,38)