methyl N-[(4-heptoxyphenyl)carbonylcarbamothioylamino]carbamate

Systemtic Name: methyl N-[(4-heptoxyphenyl)carbonylcarbamothioylamino]carbamate Openeye Name: methyl N-[(4-heptoxybenzoyl)carbamothioylamino]carbamate CAS Name: N-[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[(4-heptoxybenzoyl)carbamothioylamino]carbamate Traditional Name: N-[(4-heptoxybenzoyl)thiocarbamoylamino]carbamic acid methyl ester Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)OC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)OC

InChI

InChI=1S/C17H25N3O4S/c1-3-4-5-6-7-12-24-14-10-8-13(9-11-14)15(21)18-16(25)19-20-17(22)23-2/h8-11H,3-7,12H2,1-2H3,(H,20,22)(H2,18,19,21,25)