1-[(Z)-1-(4-methylsulfonylphenyl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[(Z)-1-(4-methylsulfonylphenyl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(Z)-1-(4-methylsulfonylphenyl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(Z)-1-(4-methylsulfonylphenyl)ethylideneamino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(Z)-1-(4-methylsulfonylphenyl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(Z)-1-(4-mesylphenyl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C17H27N4O3S2+ MolecularWeight: 399.55128

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCCC[NH+]1CCOCC1)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

C/C(=N/NC(=S)NCCC[NH+]1CCOCC1)/C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C17H26N4O3S2/c1-14(15-4-6-16(7-5-15)26(2,22)23)19-20-17(25)18-8-3-9-21-10-12-24-13-11-21/h4-7H,3,8-13H2,1-2H3,(H2,18,20,25)/p+1/b19-14-