4-azanyl-N3-(phenylmethyl)-N5-(2-pyrrolidin-1-ylethyl)-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N3-(phenylmethyl)-N5-(2-pyrrolidin-1-ylethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N3-benzyl-N5-(2-pyrrolidin-1-ylethyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N3-(phenylmethyl)-N5-[2-(1-pyrrolidinyl)ethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-3-N-benzyl-5-N-(2-pyrrolidin-1-ylethyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N-benzyl-N'-(2-pyrrolidinoethyl)isothiazole-3,5-dicarboxamide Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC(=O)C2=C(C(=NS2)C(=O)NCC3=CC=CC=C3)N

Isomeric SMILES

C1CCN(C1)CCNC(=O)C2=C(C(=NS2)C(=O)NCC3=CC=CC=C3)N

InChI

InChI=1S/C18H23N5O2S/c19-14-15(17(24)21-12-13-6-2-1-3-7-13)22-26-16(14)18(25)20-8-11-23-9-4-5-10-23/h1-3,6-7H,4-5,8-12,19H2,(H,20,25)(H,21,24)