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

Systemtic Name: 1-[(3-chloranyl-5-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-(3-methylbutyl)thiourea Openeye Name: 1-[(3-chloro-5-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-isopentyl-thiourea CAS Name: 1-[(3-chloro-5-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[(3-chloro-5-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-(3-methylbutyl)thiourea Traditional Name: 1-[(3-chloro-5-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-isoamyl-thiourea Formula: C13H18ClN3O2S MolecularWeight: 315.81892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC=C1C=C(C(=O)C(=C1)Cl)O

Isomeric SMILES

CC(C)CCNC(=S)NNC=C1C=C(C(=O)C(=C1)Cl)O

InChI

InChI=1S/C13H18ClN3O2S/c1-8(2)3-4-15-13(20)17-16-7-9-5-10(14)12(19)11(18)6-9/h5-8,16,18H,3-4H2,1-2H3,(H2,15,17,20)