methyl 6-[[1-(1-oxidanylidenenaphthalen-2-ylidene)ethylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[1-(1-oxidanylidenenaphthalen-2-ylidene)ethylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[1-(1-oxo-2-naphthylidene)ethylamino]carbamothioylamino]hexanoate CAS Name: 6-[[[1-(1-oxo-2-naphthalenylidene)ethylhydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[1-(1-oxonaphthalen-2-ylidene)ethylamino]carbamothioylamino]hexanoate Traditional Name: 6-[[1-(1-keto-2-naphthylidene)ethylamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC2=CC=CC=C2C1=O)NNC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC(=C1C=CC2=CC=CC=C2C1=O)NNC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C20H25N3O3S/c1-14(16-12-11-15-8-5-6-9-17(15)19(16)25)22-23-20(27)21-13-7-3-4-10-18(24)26-2/h5-6,8-9,11-12,22H,3-4,7,10,13H2,1-2H3,(H2,21,23,27)