N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]-4-(4-methylphenoxy)butanamide

Systemtic Name: N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]-4-(4-methylphenoxy)butanamide Openeye Name: N-[(4-chloro-3-nitro-phenyl)carbamothioyl]-4-(4-methylphenoxy)butanamide CAS Name: N-[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]-4-(4-methylphenoxy)butanamide IUPAC Name: N-[(4-chloro-3-nitrophenyl)carbamothioyl]-4-(4-methylphenoxy)butanamide Traditional Name: N-[(4-chloro-3-nitro-phenyl)thiocarbamoyl]-4-(4-methylphenoxy)butyramide Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(=O)NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(=O)NC(=S)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O4S/c1-12-4-7-14(8-5-12)26-10-2-3-17(23)21-18(27)20-13-6-9-15(19)16(11-13)22(24)25/h4-9,11H,2-3,10H2,1H3,(H2,20,21,23,27)