1-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-3-(4-isopropylphenyl)thiourea CAS Name: 1-[[(2S)-4-(phenylmethyl)-2-morpholin-4-iumyl]methyl]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-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)NCC2C[NH+](CCO2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NC[C@H]2C[NH+](CCO2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3OS/c1-17(2)19-8-10-20(11-9-19)24-22(27)23-14-21-16-25(12-13-26-21)15-18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3,(H2,23,24,27)/p+1/t21-/m0/s1