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

Systemtic Name: 1-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(Z)-1-(6-methoxy-2-naphthyl)propylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(Z)-1-(6-methoxy-2-naphthalenyl)propylideneamino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(Z)-1-(6-methoxy-2-naphthyl)propylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2S/c1-3-21(19-6-5-18-16-20(27-2)8-7-17(18)15-19)24-25-22(29)23-9-4-10-26-11-13-28-14-12-26/h5-8,15-16H,3-4,9-14H2,1-2H3,(H2,23,25,29)/p+1/b24-21-