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

Systemtic Name: 1-(3-methylphenyl)-3-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]thiourea Openeye Name: 1-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-3-(m-tolyl)thiourea CAS Name: 1-(3-methylphenyl)-3-[[(2S)-4-(phenylmethyl)-2-morpholin-4-iumyl]methyl]thiourea IUPAC Name: 1-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-3-(3-methylphenyl)thiourea Traditional Name: 1-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-3-(m-tolyl)thiourea Formula: C20H26N3OS+ MolecularWeight: 356.50494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NCC2C[NH+](CCO2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NC[C@H]2C[NH+](CCO2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3OS/c1-16-6-5-9-18(12-16)22-20(25)21-13-19-15-23(10-11-24-19)14-17-7-3-2-4-8-17/h2-9,12,19H,10-11,13-15H2,1H3,(H2,21,22,25)/p+1/t19-/m0/s1