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methyl 5-[(butylcarbamothioylamino)methyl]-2-methoxy-benzoate

methyl 5-[(butylcarbamothioylamino)methyl]-2-methoxy-benzoate

Systemtic Name:methyl 5-[(butylcarbamothioylamino)methyl]-2-methoxy-benzoate
Openeye Name:methyl 5-[(butylcarbamothioylamino)methyl]-2-methoxy-benzoate
CAS Name:5-[[[butylamino(sulfanylidene)methyl]amino]methyl]-2-methoxybenzoic acid methyl ester
IUPAC Name:methyl 5-[(butylcarbamothioylamino)methyl]-2-methoxybenzoate
Traditional Name:5-[(butylthiocarbamoylamino)methyl]-2-methoxy-benzoic acid methyl ester
Formula: C15H22N2O3S
MolecularWeight: 310.41178
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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NCC1=CC(=C(C=C1)OC)C(=O)OC


Isomeric SMILES

CCCCNC(=S)NCC1=CC(=C(C=C1)OC)C(=O)OC


InChI

InChI=1S/C15H22N2O3S/c1-4-5-8-16-15(21)17-10-11-6-7-13(19-2)12(9-11)14(18)20-3/h6-7,9H,4-5,8,10H2,1-3H3,(H2,16,17,21)


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