1-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-(4-isopropylphenyl)-3-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-3-p-cumenyl-thiourea Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NCC2=CC=CC=C2C[NH+]3CCOCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NCC2=CC=CC=C2C[NH+]3CCOCC3

InChI

InChI=1S/C22H29N3OS/c1-17(2)18-7-9-21(10-8-18)24-22(27)23-15-19-5-3-4-6-20(19)16-25-11-13-26-14-12-25/h3-10,17H,11-16H2,1-2H3,(H2,23,24,27)/p+1