1-butyl-3-[2,7-ditert-butyl-5-(butylcarbamothioylamino)-9,9-dimethyl-xanthen-4-yl]thiourea

Systemtic Name: 1-butyl-3-[2,7-ditert-butyl-5-(butylcarbamothioylamino)-9,9-dimethyl-xanthen-4-yl]thiourea Openeye Name: 1-butyl-3-[2,7-ditert-butyl-5-(butylcarbamothioylamino)-9,9-dimethyl-xanthen-4-yl]thiourea CAS Name: 1-butyl-3-[2,7-ditert-butyl-5-[[butylamino(sulfanylidene)methyl]amino]-9,9-dimethyl-4-xanthenyl]thiourea IUPAC Name: 1-butyl-3-[2,7-ditert-butyl-5-(butylcarbamothioylamino)-9,9-dimethylxanthen-4-yl]thiourea Traditional Name: 1-butyl-3-[2,7-ditert-butyl-5-(butylthiocarbamoylamino)-9,9-dimethyl-xanthen-4-yl]thiourea Formula: C33H50N4OS2 MolecularWeight: 582.9063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=C2C(=CC(=C1)C(C)(C)C)C(C3=CC(=CC(=C3O2)NC(=S)NCCCC)C(C)(C)C)(C)C

Isomeric SMILES

CCCCNC(=S)NC1=C2C(=CC(=C1)C(C)(C)C)C(C3=CC(=CC(=C3O2)NC(=S)NCCCC)C(C)(C)C)(C)C

InChI

InChI=1S/C33H50N4OS2/c1-11-13-15-34-29(39)36-25-19-21(31(3,4)5)17-23-27(25)38-28-24(33(23,9)10)18-22(32(6,7)8)20-26(28)37-30(40)35-16-14-12-2/h17-20H,11-16H2,1-10H3,(H2,34,36,39)(H2,35,37,40)