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

Systemtic Name: N-[[4-chloranyl-3-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C26H21Cl2N5O4S MolecularWeight: 570.44704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C4=NC5=C(O4)C=CC(=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C4=NC5=C(O4)C=CC(=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H21Cl2N5O4S/c27-16-5-9-23-20(13-16)30-25(37-23)18-14-17(6-7-19(18)28)29-26(38)31-24(34)15-4-8-21(22(12-15)33(35)36)32-10-2-1-3-11-32/h4-9,12-14H,1-3,10-11H2,(H2,29,31,34,38)