[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl]-[(R)-(4-propylphenyl)-thiophen-2-yl-methyl]azanium

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl]-[(R)-(4-propylphenyl)-thiophen-2-yl-methyl]azanium Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl]-[(R)-(4-propylphenyl)-(2-thienyl)methyl]ammonium CAS Name: [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]ammonium IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium Traditional Name: [2-(isobutylcarbamoylamino)-2-keto-ethyl]-[(R)-(4-propylphenyl)-(2-thienyl)methyl]ammonium Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C2=CC=CS2)[NH2+]CC(=O)NC(=O)NCC(C)C

Isomeric SMILES

CCCC1=CC=C(C=C1)[C@H](C2=CC=CS2)[NH2+]CC(=O)NC(=O)NCC(C)C

InChI

InChI=1S/C21H29N3O2S/c1-4-6-16-8-10-17(11-9-16)20(18-7-5-12-27-18)22-14-19(25)24-21(26)23-13-15(2)3/h5,7-12,15,20,22H,4,6,13-14H2,1-3H3,(H2,23,24,25,26)/p+1/t20-/m1/s1