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2-[(3-methylphenyl)methylsulfanyl]-N-[2-[(4-nitrophenyl)amino]ethyl]ethanamide
2-[(3-methylphenyl)methylsulfanyl]-N-[2-[(4-nitrophenyl)amino]ethyl]ethanamide
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC(=CC=C1)CSCC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]
Isomeric SMILES
CC1=CC(=CC=C1)CSCC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C18H21N3O3S/c1-14-3-2-4-15(11-14)12-25-13-18(22)20-10-9-19-16-5-7-17(8-6-16)21(23)24/h2-8,11,19H,9-10,12-13H2,1H3,(H,20,22)
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