1-(2-methylphenyl)-3-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-ylidene]amino]thiourea

Systemtic Name: 1-(2-methylphenyl)-3-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-ylidene]amino]thiourea Openeye Name: 1-[(Z)-[(2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethylidene]amino]-3-(o-tolyl)thiourea CAS Name: 1-(2-methylphenyl)-3-[(Z)-[(1S)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-ylidene]amino]thiourea IUPAC Name: 1-(2-methylphenyl)-3-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]thiourea Traditional Name: 1-[(Z)-[(2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethylidene]amino]-3-(o-tolyl)thiourea Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NN=C(C)C(C2=CC=CC=C2)[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N/N=C(/C)\[C@H](C2=CC=CC=C2)[NH+]3CCOCC3

InChI

InChI=1S/C21H26N4OS/c1-16-8-6-7-11-19(16)22-21(27)24-23-17(2)20(18-9-4-3-5-10-18)25-12-14-26-15-13-25/h3-11,20H,12-15H2,1-2H3,(H2,22,24,27)/p+1/b23-17-/t20-/m1/s1