decanoic acid; 1-[4-(2-methylpropylamino)cyclohepta[b]indol-7-yl]sulfanyl-3-propyl-urea

Systemtic Name: decanoic acid; 1-[4-(2-methylpropylamino)cyclohepta[b]indol-7-yl]sulfanyl-3-propyl-urea Openeye Name: decanoic acid; 1-[4-(isobutylamino)cyclohepta[b]indol-7-yl]sulfanyl-3-propyl-urea CAS Name: decanoic acid; 1-[[4-(2-methylpropylamino)-7-cyclohepta[b]indolyl]thio]-3-propylurea IUPAC Name: decanoic acid; 1-[4-(2-methylpropylamino)cyclohepta[b]indol-7-yl]sulfanyl-3-propylurea Traditional Name: capric acid; 1-[[4-(isobutylamino)cyclohept[b]indol-7-yl]thio]-3-propyl-urea Formula: C31H46N4O3S MolecularWeight: 554.78694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)O.CCCNC(=O)NSC1=CC=CC2=C3C=CC=C(C3=NC2=C1)NCC(C)C

Isomeric SMILES

CCCCCCCCCC(=O)O.CCCNC(=O)NSC1=CC=CC2=C3C=CC=C(C3=NC2=C1)NCC(C)C

InChI

InChI=1S/C21H26N4OS.C10H20O2/c1-4-11-22-21(26)25-27-15-7-5-8-16-17-9-6-10-18(23-13-14(2)3)20(17)24-19(16)12-15;1-2-3-4-5-6-7-8-9-10(11)12/h5-10,12,14,23H,4,11,13H2,1-3H3,(H2,22,25,26);2-9H2,1H3,(H,11,12)