1-(2-methoxyphenyl)-3-[1-[4-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]thiourea

Systemtic Name: 1-(2-methoxyphenyl)-3-[1-[4-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]thiourea Openeye Name: 1-(2-methoxyphenyl)-3-[1-[4-oxo-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]thiourea CAS Name: 1-(2-methoxyphenyl)-3-[1-[4-oxo-3-(1-piperidin-1-iumylmethyl)-1-cyclohexa-2,5-dienylidene]ethylamino]thiourea IUPAC Name: 1-(2-methoxyphenyl)-3-[1-[4-oxo-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]thiourea Traditional Name: 1-[1-[4-keto-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]-3-(2-methoxyphenyl)thiourea Formula: C22H29N4O2S+ MolecularWeight: 413.55626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC(=O)C(=C1)C[NH+]2CCCCC2)NNC(=S)NC3=CC=CC=C3OC

Isomeric SMILES

CC(=C1C=CC(=O)C(=C1)C[NH+]2CCCCC2)NNC(=S)NC3=CC=CC=C3OC

InChI

InChI=1S/C22H28N4O2S/c1-16(24-25-22(29)23-19-8-4-5-9-21(19)28-2)17-10-11-20(27)18(14-17)15-26-12-6-3-7-13-26/h4-5,8-11,14,24H,3,6-7,12-13,15H2,1-2H3,(H2,23,25,29)/p+1