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

Systemtic Name: 1-[4-(2,4-dimethylphenyl)sulfanylphenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[4-(2,4-dimethylphenyl)sulfanylphenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[4-[(2,4-dimethylphenyl)thio]phenyl]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[4-(2,4-dimethylphenyl)sulfanylphenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[4-[(2,4-dimethylphenyl)thio]phenyl]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C21H28N3OS2+ MolecularWeight: 402.59652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3OS2/c1-16-3-8-20(17(2)15-16)27-19-6-4-18(5-7-19)23-21(26)22-9-10-24-11-13-25-14-12-24/h3-8,15H,9-14H2,1-2H3,(H2,22,23,26)/p+1