2-azanyl-N-(2-azanyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide

Systemtic Name: 2-azanyl-N-(2-azanyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide Openeye Name: 2-amino-N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide CAS Name: 2-amino-N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-1-(1-oxo-3-phenylpropyl)-2-pyrrolidinecarboxamide IUPAC Name: 2-amino-N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide Traditional Name: 2-amino-N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-1-hydrocinnamoyl-pyrrolidine-2-carboxamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCC2=CC=CC=C2)(C(=O)NC3CCC4=C(C3)SC(=N4)N)N

Isomeric SMILES

C1CC(N(C1)C(=O)CCC2=CC=CC=C2)(C(=O)NC3CCC4=C(C3)SC(=N4)N)N

InChI

InChI=1S/C21H27N5O2S/c22-20-25-16-9-8-15(13-17(16)29-20)24-19(28)21(23)11-4-12-26(21)18(27)10-7-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13,23H2,(H2,22,25)(H,24,28)