N-[[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C28H27N5O4S MolecularWeight: 529.61008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C28H27N5O4S/c1-2-18-6-8-19(9-7-18)27-30-22-17-21(11-13-25(22)37-27)29-28(38)31-26(34)20-10-12-23(24(16-20)33(35)36)32-14-4-3-5-15-32/h6-13,16-17H,2-5,14-15H2,1H3,(H2,29,31,34,38)