1-butyl-3-[4-(propan-2-ylamino)cyclohepta[b]indol-7-yl]sulfanyl-urea; methanoic acid

Systemtic Name: 1-butyl-3-[4-(propan-2-ylamino)cyclohepta[b]indol-7-yl]sulfanyl-urea; methanoic acid Openeye Name: 1-butyl-3-[4-(isopropylamino)cyclohepta[b]indol-7-yl]sulfanyl-urea; formic acid CAS Name: 1-butyl-3-[[4-(propan-2-ylamino)-7-cyclohepta[b]indolyl]thio]urea; formic acid IUPAC Name: 1-butyl-3-[4-(propan-2-ylamino)cyclohepta[b]indol-7-yl]sulfanylurea; formic acid Traditional Name: 1-butyl-3-[[4-(isopropylamino)cyclohept[b]indol-7-yl]thio]urea; formic acid Formula: C22H28N4O3S MolecularWeight: 428.54772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NSC1=CC=CC2=C3C=CC=C(C3=NC2=C1)NC(C)C.C(=O)O

Isomeric SMILES

CCCCNC(=O)NSC1=CC=CC2=C3C=CC=C(C3=NC2=C1)NC(C)C.C(=O)O

InChI

InChI=1S/C21H26N4OS.CH2O2/c1-4-5-12-22-21(26)25-27-15-8-6-9-16-17-10-7-11-18(23-14(2)3)20(17)24-19(16)13-15;2-1-3/h6-11,13-14,23H,4-5,12H2,1-3H3,(H2,22,25,26);1H,(H,2,3)