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

Systemtic Name: 1-[(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea CAS Name: 1-[(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Traditional Name: 1-benzyl-3-[(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]thiourea Formula: C15H15N3O2S MolecularWeight: 301.3635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NNC=C2C=CC(=O)C(=C2)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NNC=C2C=CC(=O)C(=C2)O

InChI

InChI=1S/C15H15N3O2S/c19-13-7-6-12(8-14(13)20)10-17-18-15(21)16-9-11-4-2-1-3-5-11/h1-8,10,17,20H,9H2,(H2,16,18,21)