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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)NNC=C1C=CC=CC1=O

Isomeric SMILES

COCCCNC(=S)NN/C=C/1\C=CC=CC1=O

InChI

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