1-butyl-3-[1-(3-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea

Systemtic Name: 1-butyl-3-[1-(3-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea Openeye Name: 1-butyl-3-[1-(3-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea CAS Name: 1-butyl-3-[1-(3-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)ethylamino]thiourea IUPAC Name: 1-butyl-3-[1-(3-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea Traditional Name: 1-butyl-3-[1-(6-keto-3-methoxy-cyclohexa-2,4-dien-1-ylidene)ethylamino]thiourea Formula: C14H21N3O2S MolecularWeight: 295.40044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC(=C1C=C(C=CC1=O)OC)C

Isomeric SMILES

CCCCNC(=S)NNC(=C1C=C(C=CC1=O)OC)C

InChI

InChI=1S/C14H21N3O2S/c1-4-5-8-15-14(20)17-16-10(2)12-9-11(19-3)6-7-13(12)18/h6-7,9,16H,4-5,8H2,1-3H3,(H2,15,17,20)