N-[1-[1-[[(E)-7-azanyl-7-oxidanylidene-hept-2-en-4-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]-1,3-dithiolane-2-carboxamide

Systemtic Name: N-[1-[1-[[(E)-7-azanyl-7-oxidanylidene-hept-2-en-4-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]-1,3-dithiolane-2-carboxamide Openeye Name: N-[1-[2-[[(E)-1-(3-amino-3-oxo-propyl)but-2-enyl]amino]-1-benzyl-2-oxo-ethyl]-2-oxo-3-pyridyl]-1,3-dithiolane-2-carboxamide CAS Name: N-[1-[1-[[(E)-7-amino-7-oxohept-2-en-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-oxo-3-pyridinyl]-1,3-dithiolane-2-carboxamide IUPAC Name: N-[1-[1-[[(E)-7-amino-7-oxohept-2-en-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-oxopyridin-3-yl]-1,3-dithiolane-2-carboxamide Traditional Name: N-[1-[2-[[(E)-1-(3-amino-3-keto-propyl)but-2-enyl]amino]-1-benzyl-2-keto-ethyl]-2-keto-3-pyridyl]-1,3-dithiolane-2-carboxamide Formula: C25H30N4O4S2 MolecularWeight: 514.6601

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(CCC(=O)N)NC(=O)C(CC1=CC=CC=C1)N2C=CC=C(C2=O)NC(=O)C3SCCS3

Isomeric SMILES

C/C=C/C(CCC(=O)N)NC(=O)C(CC1=CC=CC=C1)N2C=CC=C(C2=O)NC(=O)C3SCCS3

InChI

InChI=1S/C25H30N4O4S2/c1-2-7-18(11-12-21(26)30)27-22(31)20(16-17-8-4-3-5-9-17)29-13-6-10-19(24(29)33)28-23(32)25-34-14-15-35-25/h2-10,13,18,20,25H,11-12,14-16H2,1H3,(H2,26,30)(H,27,31)(H,28,32)/b7-2+