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

Systemtic Name: 1-[(Z)-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[(Z)-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methyleneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[(Z)-(2,5-dimethyl-1-phenyl-3-pyrrolyl)methylideneamino]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[(Z)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[(Z)-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methyleneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C20H28N5OS+ MolecularWeight: 386.53422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C=NNC(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)/C=N\NC(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C20H27N5OS/c1-16-14-18(17(2)25(16)19-6-4-3-5-7-19)15-22-23-20(27)21-8-9-24-10-12-26-13-11-24/h3-7,14-15H,8-13H2,1-2H3,(H2,21,23,27)/p+1/b22-15-