methyl N-[[2-(tridecanoylamino)phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-(tridecanoylamino)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(tridecanoylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[2-(1-oxotridecylamino)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(tridecanoylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(tridecanoylamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C22H35N3O3S MolecularWeight: 421.5966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)NC1=CC=CC=C1NC(=S)NC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCC(=O)NC1=CC=CC=C1NC(=S)NC(=O)OC

InChI

InChI=1S/C22H35N3O3S/c1-3-4-5-6-7-8-9-10-11-12-17-20(26)23-18-15-13-14-16-19(18)24-21(29)25-22(27)28-2/h13-16H,3-12,17H2,1-2H3,(H,23,26)(H2,24,25,27,29)