N-[(4-methyl-3-nitro-phenyl)carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[(4-methyl-3-nitro-phenyl)carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[(4-methyl-3-nitro-phenyl)carbamothioyl]adamantane-1-carboxamide CAS Name: N-[(4-methyl-3-nitroanilino)-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[(4-methyl-3-nitrophenyl)carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[(4-methyl-3-nitro-phenyl)thiocarbamoyl]adamantane-1-carboxamide Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O3S/c1-11-2-3-15(7-16(11)22(24)25)20-18(26)21-17(23)19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14H,4-6,8-10H2,1H3,(H2,20,21,23,26)