1-[4-(2-chloranyl-6-methyl-4-nitro-phenyl)sulfanylphenyl]-3-propyl-urea

Systemtic Name: 1-[4-(2-chloranyl-6-methyl-4-nitro-phenyl)sulfanylphenyl]-3-propyl-urea Openeye Name: 1-[4-(2-chloro-6-methyl-4-nitro-phenyl)sulfanylphenyl]-3-propyl-urea CAS Name: 1-[4-[(2-chloro-6-methyl-4-nitrophenyl)thio]phenyl]-3-propylurea IUPAC Name: 1-[4-(2-chloro-6-methyl-4-nitrophenyl)sulfanylphenyl]-3-propylurea Traditional Name: 1-[4-[(2-chloro-6-methyl-4-nitro-phenyl)thio]phenyl]-3-propyl-urea Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC1=CC=C(C=C1)SC2=C(C=C(C=C2C)[N+](=O)[O-])Cl

Isomeric SMILES

CCCNC(=O)NC1=CC=C(C=C1)SC2=C(C=C(C=C2C)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H18ClN3O3S/c1-3-8-19-17(22)20-12-4-6-14(7-5-12)25-16-11(2)9-13(21(23)24)10-15(16)18/h4-7,9-10H,3,8H2,1-2H3,(H2,19,20,22)