1-[[4-(benzotriazol-1-ylmethyl)phenyl]carbonylamino]-3-(3-methoxypropyl)-1-methyl-thiourea

Systemtic Name: 1-[[4-(benzotriazol-1-ylmethyl)phenyl]carbonylamino]-3-(3-methoxypropyl)-1-methyl-thiourea Openeye Name: 1-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]-3-(3-methoxypropyl)-1-methyl-thiourea CAS Name: 1-[[[4-(1-benzotriazolylmethyl)phenyl]-oxomethyl]amino]-3-(3-methoxypropyl)-1-methylthiourea IUPAC Name: 1-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]-3-(3-methoxypropyl)-1-methylthiourea Traditional Name: 1-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]-3-(3-methoxypropyl)-1-methyl-thiourea Formula: C20H24N6O2S MolecularWeight: 412.50856

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCCCOC)NC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CN(C(=S)NCCCOC)NC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H24N6O2S/c1-25(20(29)21-12-5-13-28-2)23-19(27)16-10-8-15(9-11-16)14-26-18-7-4-3-6-17(18)22-24-26/h3-4,6-11H,5,12-14H2,1-2H3,(H,21,29)(H,23,27)