1-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[4-[(2,5-dimethylphenyl)thio]phenyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[4-[(2,5-dimethylphenyl)thio]phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C22H30N3OS2+ MolecularWeight: 416.6231

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C22H29N3OS2/c1-17-4-5-18(2)21(16-17)28-20-8-6-19(7-9-20)24-22(27)23-10-3-11-25-12-14-26-15-13-25/h4-9,16H,3,10-15H2,1-2H3,(H2,23,24,27)/p+1