1-[[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1,3-thiazet-2-ylidene]amino]propan-2-one

Systemtic Name: 1-[[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1,3-thiazet-2-ylidene]amino]propan-2-one Openeye Name: 1-[[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1,3-thiazet-2-ylidene]amino]propan-2-one CAS Name: 1-[[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1,3-thiazet-2-ylidene]amino]-2-propanone IUPAC Name: 1-[[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1,3-thiazet-2-ylidene]amino]propan-2-one Traditional Name: 1-[[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1,3-thiazet-2-ylidene]amino]acetone Formula: C16H18N4O2S MolecularWeight: 330.40472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN=C1N=C(S1)NCCC2=CNC3=C2C=C(C=C3)OC

Isomeric SMILES

CC(=O)CN=C1N=C(S1)NCCC2=CNC3=C2C=C(C=C3)OC

InChI

InChI=1S/C16H18N4O2S/c1-10(21)8-19-16-20-15(23-16)17-6-5-11-9-18-14-4-3-12(22-2)7-13(11)14/h3-4,7,9,18H,5-6,8H2,1-2H3,(H,17,19,20)