N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-5-nitro-2-pyrrolidino-benzamide Formula: C23H25N5O3S2 MolecularWeight: 483.6063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C23H25N5O3S2/c1-2-3-6-15-7-9-18-20(13-15)33-23(24-18)26-22(32)25-21(29)17-14-16(28(30)31)8-10-19(17)27-11-4-5-12-27/h7-10,13-14H,2-6,11-12H2,1H3,(H2,24,25,26,29,32)