1-(2,7-dimethyl-2-phenethyl-chromen-6-yl)-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-(2,7-dimethyl-2-phenethyl-chromen-6-yl)-3-(4-nitrophenyl)thiourea Openeye Name: 1-(2,7-dimethyl-2-phenethyl-chromen-6-yl)-3-(4-nitrophenyl)thiourea CAS Name: 1-(2,7-dimethyl-2-phenethyl-1-benzopyran-6-yl)-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(2,7-dimethyl-2-phenethylchromen-6-yl)-3-(4-nitrophenyl)thiourea Traditional Name: 1-(2,7-dimethyl-2-phenethyl-chromen-6-yl)-3-(4-nitrophenyl)thiourea Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(OC2=C1)(C)CCC3=CC=CC=C3)NC(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C2C=CC(OC2=C1)(C)CCC3=CC=CC=C3)NC(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H25N3O3S/c1-18-16-24-20(13-15-26(2,32-24)14-12-19-6-4-3-5-7-19)17-23(18)28-25(33)27-21-8-10-22(11-9-21)29(30)31/h3-11,13,15-17H,12,14H2,1-2H3,(H2,27,28,33)