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

Systemtic Name: 1-butyl-3-[4-[(propan-2-ylamino)methyl]cyclohepta[b]indol-7-yl]sulfanyl-urea; methanoic acid Openeye Name: 1-butyl-3-[4-[(isopropylamino)methyl]cyclohepta[b]indol-7-yl]sulfanyl-urea; formic acid CAS Name: 1-butyl-3-[[4-[(propan-2-ylamino)methyl]-7-cyclohepta[b]indolyl]thio]urea; formic acid IUPAC Name: 1-butyl-3-[4-[(propan-2-ylamino)methyl]cyclohepta[b]indol-7-yl]sulfanylurea; formic acid Traditional Name: 1-butyl-3-[[4-[(isopropylamino)methyl]cyclohept[b]indol-7-yl]thio]urea; formic acid Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4OS.CH2O2/c1-4-5-12-23-22(27)26-28-17-9-7-10-18-19-11-6-8-16(14-24-15(2)3)21(19)25-20(18)13-17;2-1-3/h6-11,13,15,24H,4-5,12,14H2,1-3H3,(H2,23,26,27);1H,(H,2,3)