1-butyl-3-[2-(2-methyl-1H-indol-3-yl)ethanoylamino]thiourea

Systemtic Name: 1-butyl-3-[2-(2-methyl-1H-indol-3-yl)ethanoylamino]thiourea Openeye Name: 1-butyl-3-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]thiourea CAS Name: 1-butyl-3-[[2-(2-methyl-1H-indol-3-yl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-butyl-3-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]thiourea Traditional Name: 1-butyl-3-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]thiourea Formula: C16H22N4OS MolecularWeight: 318.43708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC(=O)CC1=C(NC2=CC=CC=C21)C

Isomeric SMILES

CCCCNC(=S)NNC(=O)CC1=C(NC2=CC=CC=C21)C

InChI

InChI=1S/C16H22N4OS/c1-3-4-9-17-16(22)20-19-15(21)10-13-11(2)18-14-8-6-5-7-12(13)14/h5-8,18H,3-4,9-10H2,1-2H3,(H,19,21)(H2,17,20,22)