1-[(Z)-(5-cyano-1,2-dimethyl-pyrrol-3-yl)methylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[(Z)-(5-cyano-1,2-dimethyl-pyrrol-3-yl)methylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(Z)-(5-cyano-1,2-dimethyl-pyrrol-3-yl)methyleneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(Z)-(5-cyano-1,2-dimethyl-3-pyrrolyl)methylideneamino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(Z)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(Z)-(5-cyano-1,2-dimethyl-pyrrol-3-yl)methyleneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C16H25N6OS+ MolecularWeight: 349.4743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=NNC(=S)NCCC[NH+]2CCOCC2

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=N\NC(=S)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C16H24N6OS/c1-13-14(10-15(11-17)21(13)2)12-19-20-16(24)18-4-3-5-22-6-8-23-9-7-22/h10,12H,3-9H2,1-2H3,(H2,18,20,24)/p+1/b19-12-