1-(4-propan-2-ylphenyl)-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]thiourea

Systemtic Name: 1-(4-propan-2-ylphenyl)-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]thiourea Openeye Name: 1-(4-isopropylphenyl)-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]thiourea CAS Name: 1-(4-propan-2-ylphenyl)-3-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]thiourea IUPAC Name: 1-(4-propan-2-ylphenyl)-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]thiourea Traditional Name: 1-p-cumenyl-3-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]thiourea Formula: C20H28N3S2+ MolecularWeight: 374.58642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NCC(C2=CC=CS2)[NH+]3CCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NC[C@H](C2=CC=CS2)[NH+]3CCCC3

InChI

InChI=1S/C20H27N3S2/c1-15(2)16-7-9-17(10-8-16)22-20(24)21-14-18(19-6-5-13-25-19)23-11-3-4-12-23/h5-10,13,15,18H,3-4,11-12,14H2,1-2H3,(H2,21,22,24)/p+1/t18-/m1/s1