1-[ethoxy-[(pyridin-4-ylcarbonylamino)carbamothioylamino]phosphoryl]-3-(pyridin-4-ylcarbonylamino)thiourea

Systemtic Name: 1-[ethoxy-[(pyridin-4-ylcarbonylamino)carbamothioylamino]phosphoryl]-3-(pyridin-4-ylcarbonylamino)thiourea Openeye Name: 1-[ethoxy-[(pyridine-4-carbonylamino)carbamothioylamino]phosphoryl]-3-(pyridine-4-carbonylamino)thiourea CAS Name: 1-[ethoxy-[[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]amino]phosphoryl]-3-[[oxo(pyridin-4-yl)methyl]amino]thiourea IUPAC Name: 1-[ethoxy-[(pyridine-4-carbonylamino)carbamothioylamino]phosphoryl]-3-(pyridine-4-carbonylamino)thiourea Traditional Name: 1-[ethoxy-(isonicotinamidothiocarbamoylamino)phosphoryl]-3-isonicotinamido-thiourea Formula: C16H19N8O4PS2 MolecularWeight: 482.477021

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(NC(=S)NNC(=O)C1=CC=NC=C1)NC(=S)NNC(=O)C2=CC=NC=C2

Isomeric SMILES

CCOP(=O)(NC(=S)NNC(=O)C1=CC=NC=C1)NC(=S)NNC(=O)C2=CC=NC=C2

InChI

InChI=1S/C16H19N8O4PS2/c1-2-28-29(27,23-15(30)21-19-13(25)11-3-7-17-8-4-11)24-16(31)22-20-14(26)12-5-9-18-10-6-12/h3-10H,2H2,1H3,(H,19,25)(H,20,26)(H4,21,22,23,24,27,30,31)