N-[[2-(3-chloranyl-4-methoxy-phenyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[2-(3-chloranyl-4-methoxy-phenyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[[2-(3-chloro-4-methoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C25H22ClN7O4S MolecularWeight: 552.00468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-])Cl

InChI

InChI=1S/C25H22ClN7O4S/c1-37-23-9-6-17(14-18(23)26)32-29-19-7-5-16(13-20(19)30-32)27-25(38)28-24(34)15-4-8-21(22(12-15)33(35)36)31-10-2-3-11-31/h4-9,12-14H,2-3,10-11H2,1H3,(H2,27,28,34,38)