decanoic acid; 1-[4-[(dibutylamino)methyl]cyclohepta[b]indol-7-yl]-3-propyl-thiourea

Systemtic Name: decanoic acid; 1-[4-[(dibutylamino)methyl]cyclohepta[b]indol-7-yl]-3-propyl-thiourea Openeye Name: decanoic acid; 1-[4-[(dibutylamino)methyl]cyclohepta[b]indol-7-yl]-3-propyl-thiourea CAS Name: decanoic acid; 1-[4-[(dibutylamino)methyl]-7-cyclohepta[b]indolyl]-3-propylthiourea IUPAC Name: decanoic acid; 1-[4-[(dibutylamino)methyl]cyclohepta[b]indol-7-yl]-3-propylthiourea Traditional Name: capric acid; 1-[4-[(dibutylamino)methyl]cyclohept[b]indol-7-yl]-3-propyl-thiourea Formula: C36H56N4O2S MolecularWeight: 608.92044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)O.CCCCN(CCCC)CC1=CC=CC2=C3C=CC=C(C=C3N=C21)NC(=S)NCCC

Isomeric SMILES

CCCCCCCCCC(=O)O.CCCCN(CCCC)CC1=CC=CC2=C3C=CC=C(C=C3N=C21)NC(=S)NCCC

InChI

InChI=1S/C26H36N4S.C10H20O2/c1-4-7-16-30(17-8-5-2)19-20-11-9-14-23-22-13-10-12-21(18-24(22)29-25(20)23)28-26(31)27-15-6-3;1-2-3-4-5-6-7-8-9-10(11)12/h9-14,18H,4-8,15-17,19H2,1-3H3,(H2,27,28,31);2-9H2,1H3,(H,11,12)