1-(9-butyl-3-methanoyl-pyrido[3,4-b]indol-1-yl)-3-(3,4,5-trimethoxyphenyl)thiourea

Systemtic Name: 1-(9-butyl-3-methanoyl-pyrido[3,4-b]indol-1-yl)-3-(3,4,5-trimethoxyphenyl)thiourea Openeye Name: 1-(9-butyl-3-formyl-pyrido[3,4-b]indol-1-yl)-3-(3,4,5-trimethoxyphenyl)thiourea CAS Name: 1-(9-butyl-3-formyl-1-pyrido[3,4-b]indolyl)-3-(3,4,5-trimethoxyphenyl)thiourea IUPAC Name: 1-(9-butyl-3-formylpyrido[3,4-b]indol-1-yl)-3-(3,4,5-trimethoxyphenyl)thiourea Traditional Name: 1-(9-butyl-3-formyl-$b-carbolin-1-yl)-3-(3,4,5-trimethoxyphenyl)thiourea Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C3=CC(=NC(=C31)NC(=S)NC4=CC(=C(C(=C4)OC)OC)OC)C=O

Isomeric SMILES

CCCCN1C2=CC=CC=C2C3=CC(=NC(=C31)NC(=S)NC4=CC(=C(C(=C4)OC)OC)OC)C=O

InChI

InChI=1S/C26H28N4O4S/c1-5-6-11-30-20-10-8-7-9-18(20)19-12-17(15-31)27-25(23(19)30)29-26(35)28-16-13-21(32-2)24(34-4)22(14-16)33-3/h7-10,12-15H,5-6,11H2,1-4H3,(H2,27,28,29,35)