1-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[(Z)-(1,3-diphenylpyrazol-4-yl)methyleneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[(Z)-(1,3-diphenyl-4-pyrazolyl)methylideneamino]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[(Z)-(1,3-diphenylpyrazol-4-yl)methyleneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C23H27N6OS+ MolecularWeight: 435.56508

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)NN=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)N/N=C\C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N6OS/c31-23(24-11-12-28-13-15-30-16-14-28)26-25-17-20-18-29(21-9-5-2-6-10-21)27-22(20)19-7-3-1-4-8-19/h1-10,17-18H,11-16H2,(H2,24,26,31)/p+1/b25-17-