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

Systemtic Name: 1-[4-(butan-2-ylamino)cyclohepta[b]indol-7-yl]-3-propan-2-yl-thiourea; ethanoic acid Openeye Name: acetic acid; 1-isopropyl-3-[4-(sec-butylamino)cyclohepta[b]indol-7-yl]thiourea CAS Name: acetic acid; 1-[4-(butan-2-ylamino)-7-cyclohepta[b]indolyl]-3-propan-2-ylthiourea IUPAC Name: acetic acid; 1-[4-(butan-2-ylamino)cyclohepta[b]indol-7-yl]-3-propan-2-ylthiourea Traditional Name: acetic acid; 1-isopropyl-3-[4-(sec-butylamino)cyclohept[b]indol-7-yl]thiourea Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=CC=CC2=C3C=CC=C(C=C3N=C21)NC(=S)NC(C)C.CC(=O)O

Isomeric SMILES

CCC(C)NC1=CC=CC2=C3C=CC=C(C=C3N=C21)NC(=S)NC(C)C.CC(=O)O

InChI

InChI=1S/C21H26N4S.C2H4O2/c1-5-14(4)23-18-11-7-10-17-16-9-6-8-15(12-19(16)25-20(17)18)24-21(26)22-13(2)3;1-2(3)4/h6-14,23H,5H2,1-4H3,(H2,22,24,26);1H3,(H,3,4)