(2R,5R)-5-(4-azanylbutyl)-2-(3H-indol-3-ylmethyl)-1,4,7-thiadiazonane-3,6-dione

Systemtic Name: (2R,5R)-5-(4-azanylbutyl)-2-(3H-indol-3-ylmethyl)-1,4,7-thiadiazonane-3,6-dione Openeye Name: (2R,5R)-5-(4-aminobutyl)-2-(3H-indol-3-ylmethyl)-1,4,7-thiadiazonane-3,6-dione CAS Name: (2R,5R)-5-(4-aminobutyl)-2-(3H-indol-3-ylmethyl)-1,4,7-thiadiazonane-3,6-dione IUPAC Name: (2R,5R)-5-(4-aminobutyl)-2-(3H-indol-3-ylmethyl)-1,4,7-thiadiazonane-3,6-dione Traditional Name: (2R,5R)-5-(4-aminobutyl)-2-(3H-indol-3-ylmethyl)-1,4,7-thiadiazonane-3,6-quinone Formula: C19H26N4O2S MolecularWeight: 374.50034

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(C(=O)NC(C(=O)N1)CCCCN)CC2C=NC3=CC=CC=C23

Isomeric SMILES

C1CS[C@@H](C(=O)N[C@@H](C(=O)N1)CCCCN)CC2C=NC3=CC=CC=C23

InChI

InChI=1S/C19H26N4O2S/c20-8-4-3-7-16-18(24)21-9-10-26-17(19(25)23-16)11-13-12-22-15-6-2-1-5-14(13)15/h1-2,5-6,12-13,16-17H,3-4,7-11,20H2,(H,21,24)(H,23,25)/t13?,16-,17-/m1/s1