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

Systemtic Name: N,N'-bis(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexanediamide Openeye Name: N,N'-bis(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)hexanediamide CAS Name: N,N'-bis(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexanediamide IUPAC Name: N,N'-bis(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexanediamide Traditional Name: N,N'-bis(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)adipamide Formula: C26H34N4O4S2 MolecularWeight: 530.70256

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCCC(=O)NC3=C(C4=C(S3)CC(CC4)C)C(=O)N

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCCC(=O)NC3=C(C4=C(S3)CC(CC4)C)C(=O)N

InChI

InChI=1S/C26H34N4O4S2/c1-13-7-9-15-17(11-13)35-25(21(15)23(27)33)29-19(31)5-3-4-6-20(32)30-26-22(24(28)34)16-10-8-14(2)12-18(16)36-26/h13-14H,3-12H2,1-2H3,(H2,27,33)(H2,28,34)(H,29,31)(H,30,32)