1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(Z)-1-(6-methoxy-2-naphthyl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(Z)-1-(6-methoxy-2-naphthalenyl)ethylideneamino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(Z)-1-(6-methoxy-2-naphthyl)ethylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCCC[NH+]1CCOCC1)C2=CC3=C(C=C2)C=C(C=C3)OC

Isomeric SMILES

C/C(=N/NC(=S)NCCC[NH+]1CCOCC1)/C2=CC3=C(C=C2)C=C(C=C3)OC

InChI

InChI=1S/C21H28N4O2S/c1-16(17-4-5-19-15-20(26-2)7-6-18(19)14-17)23-24-21(28)22-8-3-9-25-10-12-27-13-11-25/h4-7,14-15H,3,8-13H2,1-2H3,(H2,22,24,28)/p+1/b23-16-