1,3-bis[(1R)-1-(benzotriazol-1-yl)-2-methyl-propyl]thiourea

Systemtic Name: 1,3-bis[(1R)-1-(benzotriazol-1-yl)-2-methyl-propyl]thiourea Openeye Name: 1,3-bis[(1R)-1-(benzotriazol-1-yl)-2-methyl-propyl]thiourea CAS Name: 1,3-bis[(1R)-1-(1-benzotriazolyl)-2-methylpropyl]thiourea IUPAC Name: 1,3-bis[(1R)-1-(benzotriazol-1-yl)-2-methylpropyl]thiourea Traditional Name: 1,3-bis[(1R)-1-(benzotriazol-1-yl)-2-methyl-propyl]thiourea Formula: C21H26N8S MolecularWeight: 422.54974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NC(=S)NC(C(C)C)N1C2=CC=CC=C2N=N1)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC(C)[C@H](NC(=S)N[C@@H](C(C)C)N1C2=CC=CC=C2N=N1)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H26N8S/c1-13(2)19(28-17-11-7-5-9-15(17)24-26-28)22-21(30)23-20(14(3)4)29-18-12-8-6-10-16(18)25-27-29/h5-14,19-20H,1-4H3,(H2,22,23,30)/t19-,20-/m1/s1