1-[1-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)propylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[1-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)propylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[1-(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)propylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[1-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)propylamino]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[1-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)propylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[1-(6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)propylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C17H27N4O2S+ MolecularWeight: 351.48688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C=C(C=CC1=O)C)NNC(=S)NCC[NH+]2CCOCC2

Isomeric SMILES

CCC(=C1C=C(C=CC1=O)C)NNC(=S)NCC[NH+]2CCOCC2

InChI

InChI=1S/C17H26N4O2S/c1-3-15(14-12-13(2)4-5-16(14)22)19-20-17(24)18-6-7-21-8-10-23-11-9-21/h4-5,12,19H,3,6-11H2,1-2H3,(H2,18,20,24)/p+1