1-(4-butylphenyl)-3-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[(2R)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(2R)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]thiourea Formula: C21H30N3OS2+ MolecularWeight: 404.6124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCC(C2=CC=CS2)[NH+]3CCOCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC[C@H](C2=CC=CS2)[NH+]3CCOCC3

InChI

InChI=1S/C21H29N3OS2/c1-2-3-5-17-7-9-18(10-8-17)23-21(26)22-16-19(20-6-4-15-27-20)24-11-13-25-14-12-24/h4,6-10,15,19H,2-3,5,11-14,16H2,1H3,(H2,22,23,26)/p+1/t19-/m1/s1