N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(4-morpholinophenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[(4-morpholinophenyl)thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O4S/c28-21(16-3-8-19(20(15-16)27(29)30)26-9-1-2-10-26)24-22(32)23-17-4-6-18(7-5-17)25-11-13-31-14-12-25/h3-8,15H,1-2,9-14H2,(H2,23,24,28,32)