N,N'-bis[3-aminocarbonyl-4-methyl-5-(phenylmethyl)thiophen-2-yl]nonanediamide

Systemtic Name: N,N'-bis[3-aminocarbonyl-4-methyl-5-(phenylmethyl)thiophen-2-yl]nonanediamide Openeye Name: N,N'-bis(5-benzyl-3-carbamoyl-4-methyl-2-thienyl)nonanediamide CAS Name: N,N'-bis[3-carbamoyl-4-methyl-5-(phenylmethyl)-2-thiophenyl]nonanediamide IUPAC Name: N,N'-bis(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)nonanediamide Traditional Name: N,N'-bis(5-benzyl-3-carbamoyl-4-methyl-2-thienyl)azelaamide Formula: C35H40N4O4S2 MolecularWeight: 644.8465

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)CCCCCCCC(=O)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)CCCCCCCC(=O)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N)CC4=CC=CC=C4

InChI

InChI=1S/C35H40N4O4S2/c1-22-26(20-24-14-8-6-9-15-24)44-34(30(22)32(36)42)38-28(40)18-12-4-3-5-13-19-29(41)39-35-31(33(37)43)23(2)27(45-35)21-25-16-10-7-11-17-25/h6-11,14-17H,3-5,12-13,18-21H2,1-2H3,(H2,36,42)(H2,37,43)(H,38,40)(H,39,41)