N-[3-[2-[(3,4-dimethylphenyl)carbamothioyl]hydrazinyl]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[2-[(3,4-dimethylphenyl)carbamothioyl]hydrazinyl]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-[2-[(3,4-dimethylphenyl)carbamothioyl]hydrazino]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-[[(3,4-dimethylanilino)-sulfanylidenemethyl]hydrazo]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[2-[(3,4-dimethylphenyl)carbamothioyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-[N'-[(3,4-dimethylphenyl)thiocarbamoyl]hydrazino]-3-keto-propyl]adamantane-1-carboxamide Formula: C23H32N4O2S MolecularWeight: 428.59078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C23H32N4O2S/c1-14-3-4-19(7-15(14)2)25-22(30)27-26-20(28)5-6-24-21(29)23-11-16-8-17(12-23)10-18(9-16)13-23/h3-4,7,16-18H,5-6,8-13H2,1-2H3,(H,24,29)(H,26,28)(H2,25,27,30)