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

Systemtic Name: N,N'-bis(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-azanylidene-pentanediamide Openeye Name: N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-imino-pentanediamide CAS Name: N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-iminopentanediamide IUPAC Name: N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-iminopentanediamide Traditional Name: N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-imino-glutaramide Formula: C23H27N5O4S2 MolecularWeight: 501.62158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CC(=N)CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CC(=N)CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)C(=O)N

InChI

InChI=1S/C23H27N5O4S2/c24-11(9-16(29)27-22-18(20(25)31)12-5-1-3-7-14(12)33-22)10-17(30)28-23-19(21(26)32)13-6-2-4-8-15(13)34-23/h24H,1-10H2,(H2,25,31)(H2,26,32)(H,27,29)(H,28,30)