N,N'-bis(3-aminocarbonyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanediamide

Systemtic Name: N,N'-bis(3-aminocarbonyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanediamide Openeye Name: N,N'-bis(3-carbamoyl-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)pentanediamide CAS Name: N,N'-bis(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanediamide IUPAC Name: N,N'-bis(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanediamide Traditional Name: N,N'-bis(3-carbamoyl-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)glutaramide Formula: C29H40N4O4S2 MolecularWeight: 572.7823

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCC(=O)NC3=C(C4=C(S3)CC(CC4)CCC)C(=O)N

Isomeric SMILES

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCC(=O)NC3=C(C4=C(S3)CC(CC4)CCC)C(=O)N

InChI

InChI=1S/C29H40N4O4S2/c1-3-6-16-10-12-18-20(14-16)38-28(24(18)26(30)36)32-22(34)8-5-9-23(35)33-29-25(27(31)37)19-13-11-17(7-4-2)15-21(19)39-29/h16-17H,3-15H2,1-2H3,(H2,30,36)(H2,31,37)(H,32,34)(H,33,35)