N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-[5-(acetamidomethyl)-2-furyl]thiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-[5-(acetamidomethyl)-2-furanyl]-2-thiazolyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-[5-(acetamidomethyl)-2-furyl]thiazol-2-yl]-3-nitro-4-pyrrolidino-benzamide Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(O1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NCC1=CC=C(O1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5S/c1-13(27)22-11-15-5-7-19(31-15)16-12-32-21(23-16)24-20(28)14-4-6-17(18(10-14)26(29)30)25-8-2-3-9-25/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,22,27)(H,23,24,28)