1-[4-[(butan-2-ylamino)methyl]cyclohepta[b]indol-7-yl]-3-propan-2-yl-thiourea; ethanoic acid

Systemtic Name: 1-[4-[(butan-2-ylamino)methyl]cyclohepta[b]indol-7-yl]-3-propan-2-yl-thiourea; ethanoic acid Openeye Name: acetic acid; 1-isopropyl-3-[4-[(sec-butylamino)methyl]cyclohepta[b]indol-7-yl]thiourea CAS Name: acetic acid; 1-[4-[(butan-2-ylamino)methyl]-7-cyclohepta[b]indolyl]-3-propan-2-ylthiourea IUPAC Name: acetic acid; 1-[4-[(butan-2-ylamino)methyl]cyclohepta[b]indol-7-yl]-3-propan-2-ylthiourea Traditional Name: acetic acid; 1-isopropyl-3-[4-[(sec-butylamino)methyl]cyclohept[b]indol-7-yl]thiourea Formula: C24H32N4O2S MolecularWeight: 440.60148

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC1=CC=CC2=C3C=CC=C(C=C3N=C21)NC(=S)NC(C)C.CC(=O)O

Isomeric SMILES

CCC(C)NCC1=CC=CC2=C3C=CC=C(C=C3N=C21)NC(=S)NC(C)C.CC(=O)O

InChI

InChI=1S/C22H28N4S.C2H4O2/c1-5-15(4)23-13-16-8-6-11-19-18-10-7-9-17(12-20(18)26-21(16)19)25-22(27)24-14(2)3;1-2(3)4/h6-12,14-15,23H,5,13H2,1-4H3,(H2,24,25,27);1H3,(H,3,4)