1-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)octylamino]-3-pyridin-3-yl-thiourea

Systemtic Name: 1-[1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)octylamino]-3-pyridin-3-yl-thiourea Openeye Name: 1-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)octylamino]-3-(3-pyridyl)thiourea CAS Name: 1-[1-(4-oxo-1-cyclohexa-2,5-dienylidene)octylamino]-3-(3-pyridinyl)thiourea IUPAC Name: 1-[1-(4-oxocyclohexa-2,5-dien-1-ylidene)octylamino]-3-pyridin-3-ylthiourea Traditional Name: 1-[1-(4-ketocyclohexa-2,5-dien-1-ylidene)octylamino]-3-(3-pyridyl)thiourea Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=C1C=CC(=O)C=C1)NNC(=S)NC2=CN=CC=C2

Isomeric SMILES

CCCCCCCC(=C1C=CC(=O)C=C1)NNC(=S)NC2=CN=CC=C2

InChI

InChI=1S/C20H26N4OS/c1-2-3-4-5-6-9-19(16-10-12-18(25)13-11-16)23-24-20(26)22-17-8-7-14-21-15-17/h7-8,10-15,23H,2-6,9H2,1H3,(H2,22,24,26)