2-[[4-(2-dimethylaminoethyloxy)-2-nitro-phenyl]carbamothioylamino]-N-(2,6-dimethylphenyl)-2-phenyl-ethanamide

Systemtic Name: 2-[[4-(2-dimethylaminoethyloxy)-2-nitro-phenyl]carbamothioylamino]-N-(2,6-dimethylphenyl)-2-phenyl-ethanamide Openeye Name: 2-[[4-(2-dimethylaminoethyloxy)-2-nitro-phenyl]carbamothioylamino]-N-(2,6-dimethylphenyl)-2-phenyl-acetamide CAS Name: 2-[[[4-(2-dimethylaminoethyloxy)-2-nitroanilino]-sulfanylidenemethyl]amino]-N-(2,6-dimethylphenyl)-2-phenylacetamide IUPAC Name: 2-[[4-(2-dimethylaminoethyloxy)-2-nitrophenyl]carbamothioylamino]-N-(2,6-dimethylphenyl)-2-phenylacetamide Traditional Name: 2-[[4-(2-dimethylaminoethyloxy)-2-nitro-phenyl]thiocarbamoylamino]-N-(2,6-dimethylphenyl)-2-phenyl-acetamide Formula: C27H31N5O4S MolecularWeight: 521.63114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=CC=C2)NC(=S)NC3=C(C=C(C=C3)OCCN(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C(C2=CC=CC=C2)NC(=S)NC3=C(C=C(C=C3)OCCN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C27H31N5O4S/c1-18-9-8-10-19(2)24(18)29-26(33)25(20-11-6-5-7-12-20)30-27(37)28-22-14-13-21(17-23(22)32(34)35)36-16-15-31(3)4/h5-14,17,25H,15-16H2,1-4H3,(H,29,33)(H2,28,30,37)