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

Systemtic Name: N,N'-bis(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexanediamide Openeye Name: N,N'-bis(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)hexanediamide CAS Name: N,N'-bis(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexanediamide IUPAC Name: N,N'-bis(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexanediamide Traditional Name: N,N'-bis(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)adipamide Formula: C28H38N4O4S2 MolecularWeight: 558.75572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCCC(=O)NC3=C(C4=C(S3)CC(CC4)CC)C(=O)N

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCCC(=O)NC3=C(C4=C(S3)CC(CC4)CC)C(=O)N

InChI

InChI=1S/C28H38N4O4S2/c1-3-15-9-11-17-19(13-15)37-27(23(17)25(29)35)31-21(33)7-5-6-8-22(34)32-28-24(26(30)36)18-12-10-16(4-2)14-20(18)38-28/h15-16H,3-14H2,1-2H3,(H2,29,35)(H2,30,36)(H,31,33)(H,32,34)