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

Systemtic Name: N-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[4-(1-naphthyl)thiazol-2-yl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[[4-(1-naphthalenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[[4-(1-naphthyl)thiazol-2-yl]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=NC(=CS3)C4=CC=CC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=NC(=CS3)C4=CC=CC5=CC=CC=C54)[N+](=O)[O-]

InChI

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