1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea

Systemtic Name: 1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea Openeye Name: 1-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-3-(4-methyl-2-oxo-chromen-7-yl)thiourea CAS Name: 1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-(4-methyl-2-oxo-1-benzopyran-7-yl)thiourea IUPAC Name: 1-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-3-(4-methyl-2-oxochromen-7-yl)thiourea Traditional Name: 1-[4-(2,4-ditert-amylphenoxy)butyl]-3-(2-keto-4-methyl-chromen-7-yl)thiourea Formula: C31H42N2O3S MolecularWeight: 522.74178

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C)C(C)(C)CC

InChI

InChI=1S/C31H42N2O3S/c1-8-30(4,5)22-12-15-26(25(19-22)31(6,7)9-2)35-17-11-10-16-32-29(37)33-23-13-14-24-21(3)18-28(34)36-27(24)20-23/h12-15,18-20H,8-11,16-17H2,1-7H3,(H2,32,33,37)