N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C25H21N5O3S2 MolecularWeight: 503.59594

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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)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C25H21N5O3S2/c31-23(17-9-12-20(21(15-17)30(32)33)29-13-3-4-14-29)28-25(34)26-18-10-7-16(8-11-18)24-27-19-5-1-2-6-22(19)35-24/h1-2,5-12,15H,3-4,13-14H2,(H2,26,28,31,34)