ethyl 3-[2-[5-[(2-nitrophenyl)carbamothioylamino]pentanoylamino]ethanoylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: ethyl 3-[2-[5-[(2-nitrophenyl)carbamothioylamino]pentanoylamino]ethanoylamino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl 3-[[2-[5-[(2-nitrophenyl)carbamothioylamino]pentanoylamino]acetyl]amino]-3-(3-pyridyl)propanoate CAS Name: 3-[[2-[[5-[[(2-nitroanilino)-sulfanylidenemethyl]amino]-1-oxopentyl]amino]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[5-[(2-nitrophenyl)carbamothioylamino]pentanoylamino]acetyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: 3-[[2-[5-[(2-nitrophenyl)thiocarbamoylamino]pentanoylamino]acetyl]amino]-3-(3-pyridyl)propionic acid ethyl ester Formula: C24H30N6O6S MolecularWeight: 530.5966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)CNC(=O)CCCCNC(=S)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC(C1=CN=CC=C1)NC(=O)CNC(=O)CCCCNC(=S)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C24H30N6O6S/c1-2-36-23(33)14-19(17-8-7-12-25-15-17)28-22(32)16-27-21(31)11-5-6-13-26-24(37)29-18-9-3-4-10-20(18)30(34)35/h3-4,7-10,12,15,19H,2,5-6,11,13-14,16H2,1H3,(H,27,31)(H,28,32)(H2,26,29,37)