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

Systemtic Name: 1-butyl-3-[4-(propan-2-ylamino)cyclohepta[b]indol-7-yl]sulfanyl-urea Openeye Name: 1-butyl-3-[4-(isopropylamino)cyclohepta[b]indol-7-yl]sulfanyl-urea CAS Name: 1-butyl-3-[[4-(propan-2-ylamino)-7-cyclohepta[b]indolyl]thio]urea IUPAC Name: 1-butyl-3-[4-(propan-2-ylamino)cyclohepta[b]indol-7-yl]sulfanylurea Traditional Name: 1-butyl-3-[[4-(isopropylamino)cyclohept[b]indol-7-yl]thio]urea Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4OS/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/h6-11,13-14,23H,4-5,12H2,1-3H3,(H2,22,25,26)