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

Systemtic Name: 1-(3-methoxypropyl)-3-[(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Openeye Name: 1-[(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(3-methoxypropyl)thiourea CAS Name: 1-[(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-(3-methoxypropyl)thiourea IUPAC Name: 1-[(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-(3-methoxypropyl)thiourea Traditional Name: 1-[(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(3-methoxypropyl)thiourea Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)NNC=C1C=CC(=O)C=C1O

Isomeric SMILES

COCCCNC(=S)NNC=C1C=CC(=O)C=C1O

InChI

InChI=1S/C12H17N3O3S/c1-18-6-2-5-13-12(19)15-14-8-9-3-4-10(16)7-11(9)17/h3-4,7-8,14,17H,2,5-6H2,1H3,(H2,13,15,19)