1-(3-methoxypropyl)-3-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]thiourea

Systemtic Name: 1-(3-methoxypropyl)-3-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-(3-methoxypropyl)-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-(3-methoxypropyl)-3-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea IUPAC Name: 1-(3-methoxypropyl)-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]-3-(3-methoxypropyl)thiourea Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)NNC=C1C=CC(=O)C=C1

Isomeric SMILES

COCCCNC(=S)NNC=C1C=CC(=O)C=C1

InChI

InChI=1S/C12H17N3O2S/c1-17-8-2-7-13-12(18)15-14-9-10-3-5-11(16)6-4-10/h3-6,9,14H,2,7-8H2,1H3,(H2,13,15,18)