1-(3-methoxypropyl)-1-[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea

Systemtic Name: 1-(3-methoxypropyl)-1-[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea Openeye Name: 1-(3-methoxypropyl)-1-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea CAS Name: 1-(3-methoxypropyl)-1-[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]thiourea IUPAC Name: 1-(3-methoxypropyl)-1-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea Traditional Name: 1-[[(E)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]amino]-1-(3-methoxypropyl)thiourea Formula: C12H17N3O2S MolecularWeight: 267.34728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN(C(=S)N)NC=C1C=CC=CC1=O

Isomeric SMILES

COCCCN(C(=S)N)N/C=C/1\C=CC=CC1=O

InChI

InChI=1S/C12H17N3O2S/c1-17-8-4-7-15(12(13)18)14-9-10-5-2-3-6-11(10)16/h2-3,5-6,9,14H,4,7-8H2,1H3,(H2,13,18)/b10-9+