2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-methyl-5-nitro-phenyl)butanamide

Systemtic Name: 2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-methyl-5-nitro-phenyl)butanamide Openeye Name: 2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-methyl-5-nitro-phenyl)butanamide CAS Name: 2-[[3-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(2-methyl-5-nitrophenyl)butanamide IUPAC Name: 2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2-methyl-5-nitrophenyl)butanamide Traditional Name: 2-[[3-[(2-methoxyphenyl)thiocarbamoylamino]phenyl]thio]-N-(2-methyl-5-nitro-phenyl)butyramide Formula: C25H26N4O4S2 MolecularWeight: 510.62834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3OC

InChI

InChI=1S/C25H26N4O4S2/c1-4-23(24(30)27-21-15-18(29(31)32)13-12-16(21)2)35-19-9-7-8-17(14-19)26-25(34)28-20-10-5-6-11-22(20)33-3/h5-15,23H,4H2,1-3H3,(H,27,30)(H2,26,28,34)