N-propan-2-ylethanethioamide; 1-[(4-sulfanylidene-3H-phthalazin-6-yl)oxy]propan-2-yl ethanoate

Systemtic Name: N-propan-2-ylethanethioamide; 1-[(4-sulfanylidene-3H-phthalazin-6-yl)oxy]propan-2-yl ethanoate Openeye Name: N-isopropylthioacetamide; [1-methyl-2-[(4-thioxo-3H-phthalazin-6-yl)oxy]ethyl] acetate CAS Name: acetic acid 1-[(4-sulfanylidene-3H-phthalazin-6-yl)oxy]propan-2-yl ester; N-propan-2-ylethanethioamide IUPAC Name: N-propan-2-ylethanethioamide; 1-[(4-sulfanylidene-3H-phthalazin-6-yl)oxy]propan-2-yl acetate Traditional Name: acetic acid [1-methyl-2-[(4-thioxo-3H-phthalazin-6-yl)oxy]ethyl] ester; N-isopropylthioacetamide Formula: C18H25N3O3S2 MolecularWeight: 395.5394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)C.CC(COC1=CC2=C(C=C1)C=NNC2=S)OC(=O)C

Isomeric SMILES

CC(C)NC(=S)C.CC(COC1=CC2=C(C=C1)C=NNC2=S)OC(=O)C

InChI

InChI=1S/C13H14N2O3S.C5H11NS/c1-8(18-9(2)16)7-17-11-4-3-10-6-14-15-13(19)12(10)5-11;1-4(2)6-5(3)7/h3-6,8H,7H2,1-2H3,(H,15,19);4H,1-3H3,(H,6,7)