2-[[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]amino]-N-(3-methylbutylcarbamoyl)ethanamide

Systemtic Name: 2-[[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]amino]-N-(3-methylbutylcarbamoyl)ethanamide Openeye Name: 2-[[(R)-(4-ethylphenyl)-(2-thienyl)methyl]amino]-N-(isopentylcarbamoyl)acetamide CAS Name: 2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-[(3-methylbutylamino)-oxomethyl]acetamide IUPAC Name: 2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-(3-methylbutylcarbamoyl)acetamide Traditional Name: 2-[[(R)-(4-ethylphenyl)-(2-thienyl)methyl]amino]-N-(isoamylcarbamoyl)acetamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)NCC(=O)NC(=O)NCCC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C2=CC=CS2)NCC(=O)NC(=O)NCCC(C)C

InChI

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