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

Systemtic Name: N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-[5-(acetamidomethyl)-2-thienyl]-5-methyl-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-[5-(acetamidomethyl)-2-thiophenyl]-5-methyl-2-thiazolyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-[5-(acetamidomethyl)-2-thienyl]-5-methyl-thiazol-2-yl]-3-nitro-4-pyrrolidino-benzamide Formula: C22H23N5O4S2 MolecularWeight: 485.57912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C4=CC=C(S4)CNC(=O)C

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C4=CC=C(S4)CNC(=O)C

InChI

InChI=1S/C22H23N5O4S2/c1-13-20(19-8-6-16(33-19)12-23-14(2)28)24-22(32-13)25-21(29)15-5-7-17(18(11-15)27(30)31)26-9-3-4-10-26/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,23,28)(H,24,25,29)