methyl 2-[3-azanyl-1-(diphenylmethyl)-4-propanoyl-piperazin-2-yl]sulfanylpyridine-3-carboxylate

Systemtic Name: methyl 2-[3-azanyl-1-(diphenylmethyl)-4-propanoyl-piperazin-2-yl]sulfanylpyridine-3-carboxylate Openeye Name: methyl 2-(3-amino-1-benzhydryl-4-propanoyl-piperazin-2-yl)sulfanylpyridine-3-carboxylate CAS Name: 2-[[3-amino-1-(diphenylmethyl)-4-(1-oxopropyl)-2-piperazinyl]thio]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-amino-1-benzhydryl-4-propanoylpiperazin-2-yl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(3-amino-1-benzhydryl-4-propionyl-piperazin-2-yl)thio]nicotinic acid methyl ester Formula: C27H30N4O3S MolecularWeight: 490.6171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(C(C1N)SC2=C(C=CC=N2)C(=O)OC)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)N1CCN(C(C1N)SC2=C(C=CC=N2)C(=O)OC)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N4O3S/c1-3-22(32)30-17-18-31(23(19-11-6-4-7-12-19)20-13-8-5-9-14-20)26(24(30)28)35-25-21(27(33)34-2)15-10-16-29-25/h4-16,23-24,26H,3,17-18,28H2,1-2H3