[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]azanium

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]azanium Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl]-[(R)-(4-isopropylphenyl)-(2-thienyl)methyl]ammonium CAS Name: [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]ammonium IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium Traditional Name: [2-(butylcarbamoylamino)-2-keto-ethyl]-[(R)-p-cumenyl(2-thienyl)methyl]ammonium Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)C[NH2+]C(C1=CC=C(C=C1)C(C)C)C2=CC=CS2

Isomeric SMILES

CCCCNC(=O)NC(=O)C[NH2+][C@H](C1=CC=C(C=C1)C(C)C)C2=CC=CS2

InChI

InChI=1S/C21H29N3O2S/c1-4-5-12-22-21(26)24-19(25)14-23-20(18-7-6-13-27-18)17-10-8-16(9-11-17)15(2)3/h6-11,13,15,20,23H,4-5,12,14H2,1-3H3,(H2,22,24,25,26)/p+1/t20-/m1/s1