1-diethoxyphosphoryl-3-[2-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)oxyphenyl]thiourea

Systemtic Name: 1-diethoxyphosphoryl-3-[2-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)oxyphenyl]thiourea Openeye Name: 1-diethoxyphosphoryl-3-[2-(6-thioxocyclohexa-1,3-dien-1-yl)oxyphenyl]thiourea CAS Name: 1-diethoxyphosphoryl-3-[2-[(6-sulfanylidene-1-cyclohexa-1,3-dienyl)oxy]phenyl]thiourea IUPAC Name: 1-diethoxyphosphoryl-3-[2-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)oxyphenyl]thiourea Traditional Name: 1-diethoxyphosphoryl-3-[2-(6-thioxocyclohexa-1,3-dien-1-yl)oxyphenyl]thiourea Formula: C17H21N2O4PS2 MolecularWeight: 412.463401

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(NC(=S)NC1=CC=CC=C1OC2=CC=CCC2=S)OCC

Isomeric SMILES

CCOP(=O)(NC(=S)NC1=CC=CC=C1OC2=CC=CCC2=S)OCC

InChI

InChI=1S/C17H21N2O4PS2/c1-3-21-24(20,22-4-2)19-17(26)18-13-9-5-6-10-14(13)23-15-11-7-8-12-16(15)25/h5-11H,3-4,12H2,1-2H3,(H2,18,19,20,26)