5-methyl-N1-[(2S,3R)-3-oxidanyl-4-[(phenylmethyl)amino]-1-thiophen-2-yl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide

Systemtic Name: 5-methyl-N1-[(2S,3R)-3-oxidanyl-4-[(phenylmethyl)amino]-1-thiophen-2-yl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[(1S,2R)-3-(benzylamino)-2-hydroxy-1-(2-thienylmethyl)propyl]-5-methyl-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[(2S,3R)-3-hydroxy-4-[(phenylmethyl)amino]-1-thiophen-2-ylbutan-2-yl]-5-methyl-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[(2S,3R)-4-(benzylamino)-3-hydroxy-1-thiophen-2-ylbutan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[(1S,2R)-3-(benzylamino)-2-hydroxy-1-(2-thenyl)propyl]-5-methyl-N',N'-dipropyl-isophthalamide Formula: C30H39N3O3S MolecularWeight: 521.71396

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CS2)C(CNCC3=CC=CC=C3)O)C

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)N[C@@H](CC2=CC=CS2)[C@@H](CNCC3=CC=CC=C3)O)C

InChI

InChI=1S/C30H39N3O3S/c1-4-13-33(14-5-2)30(36)25-17-22(3)16-24(18-25)29(35)32-27(19-26-12-9-15-37-26)28(34)21-31-20-23-10-7-6-8-11-23/h6-12,15-18,27-28,31,34H,4-5,13-14,19-21H2,1-3H3,(H,32,35)/t27-,28+/m0/s1