1-[2-(1-anthracen-9-ylpropan-2-yldiazenyl)butan-2-yl]-3-cyclopentyl-thiourea

Systemtic Name: 1-[2-(1-anthracen-9-ylpropan-2-yldiazenyl)butan-2-yl]-3-cyclopentyl-thiourea Openeye Name: 1-[1-[2-(9-anthryl)-1-methyl-ethyl]azo-1-methyl-propyl]-3-cyclopentyl-thiourea CAS Name: 1-[2-[1-(9-anthracenyl)propan-2-ylazo]butan-2-yl]-3-cyclopentylthiourea IUPAC Name: 1-[2-(1-anthracen-9-ylpropan-2-yldiazenyl)butan-2-yl]-3-cyclopentylthiourea Traditional Name: 1-[1-[2-(9-anthryl)-1-methyl-ethyl]azo-1-methyl-propyl]-3-cyclopentyl-thiourea Formula: C27H34N4S MolecularWeight: 446.65066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(NC(=S)NC1CCCC1)N=NC(C)CC2=C3C=CC=CC3=CC4=CC=CC=C42

Isomeric SMILES

CCC(C)(NC(=S)NC1CCCC1)N=NC(C)CC2=C3C=CC=CC3=CC4=CC=CC=C42

InChI

InChI=1S/C27H34N4S/c1-4-27(3,29-26(32)28-22-13-7-8-14-22)31-30-19(2)17-25-23-15-9-5-11-20(23)18-21-12-6-10-16-24(21)25/h5-6,9-12,15-16,18-19,22H,4,7-8,13-14,17H2,1-3H3,(H2,28,29,32)