N-[3-[2-[(3-methoxyphenyl)carbamothioyl]hydrazinyl]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[2-[(3-methoxyphenyl)carbamothioyl]hydrazinyl]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-[2-[(3-methoxyphenyl)carbamothioyl]hydrazino]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-[[(3-methoxyanilino)-sulfanylidenemethyl]hydrazo]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[2-[(3-methoxyphenyl)carbamothioyl]hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-keto-3-[N'-[(3-methoxyphenyl)thiocarbamoyl]hydrazino]propyl]adamantane-1-carboxamide Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NNC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NNC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30N4O3S/c1-29-18-4-2-3-17(10-18)24-21(30)26-25-19(27)5-6-23-20(28)22-11-14-7-15(12-22)9-16(8-14)13-22/h2-4,10,14-16H,5-9,11-13H2,1H3,(H,23,28)(H,25,27)(H2,24,26,30)