N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[[2-(4-chlorophenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C25H22ClN7O3S MolecularWeight: 536.00528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H22ClN7O3S/c1-15-12-20-21(30-32(29-20)18-7-5-17(26)6-8-18)14-19(15)27-25(37)28-24(34)16-4-9-22(23(13-16)33(35)36)31-10-2-3-11-31/h4-9,12-14H,2-3,10-11H2,1H3,(H2,27,28,34,37)