1-[(4-bromophenyl)amino]-3-[1-(tert-butyldiazenyl)-1-phenanthren-3-yl-ethyl]thiourea

Systemtic Name: 1-[(4-bromophenyl)amino]-3-[1-(tert-butyldiazenyl)-1-phenanthren-3-yl-ethyl]thiourea Openeye Name: 1-(4-bromoanilino)-3-[1-tert-butylazo-1-(3-phenanthryl)ethyl]thiourea CAS Name: 1-(4-bromoanilino)-3-[1-tert-butylazo-1-(3-phenanthrenyl)ethyl]thiourea IUPAC Name: 1-(4-bromoanilino)-3-[1-(tert-butyldiazenyl)-1-phenanthren-3-ylethyl]thiourea Traditional Name: 1-(4-bromoanilino)-3-[1-tert-butylazo-1-(3-phenanthryl)ethyl]thiourea Formula: C27H28BrN5S MolecularWeight: 534.51372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=NC(C)(C1=CC2=C(C=CC3=CC=CC=C32)C=C1)NC(=S)NNC4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)(C)N=NC(C)(C1=CC2=C(C=CC3=CC=CC=C32)C=C1)NC(=S)NNC4=CC=C(C=C4)Br

InChI

InChI=1S/C27H28BrN5S/c1-26(2,3)32-33-27(4,29-25(34)31-30-22-15-13-21(28)14-16-22)20-12-11-19-10-9-18-7-5-6-8-23(18)24(19)17-20/h5-17,30H,1-4H3,(H2,29,31,34)