1-[2-(4-ethoxyphenyl)-3H-isoindol-2-ium-1-yl]-3-phenyl-thiourea

Systemtic Name: 1-[2-(4-ethoxyphenyl)-3H-isoindol-2-ium-1-yl]-3-phenyl-thiourea Openeye Name: 1-[2-(4-ethoxyphenyl)-3H-isoindol-2-ium-1-yl]-3-phenyl-thiourea CAS Name: 1-[2-(4-ethoxyphenyl)-3H-isoindol-2-ium-1-yl]-3-phenylthiourea IUPAC Name: 1-[2-(4-ethoxyphenyl)-3H-isoindol-2-ium-1-yl]-3-phenylthiourea Traditional Name: 1-phenyl-3-(2-p-phenetyl-3H-isoindol-2-ium-1-yl)thiourea Formula: C23H22N3OS+ MolecularWeight: 388.50528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)[N+]2=C(C3=CC=CC=C3C2)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)[N+]2=C(C3=CC=CC=C3C2)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C23H21N3OS/c1-2-27-20-14-12-19(13-15-20)26-16-17-8-6-7-11-21(17)22(26)25-23(28)24-18-9-4-3-5-10-18/h3-15H,2,16H2,1H3,(H,24,28)/p+1