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

Systemtic Name: 1-[[4-(benzotriazol-1-ylmethyl)phenyl]carbonylamino]-3-cyclopentyl-thiourea Openeye Name: 1-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]-3-cyclopentyl-thiourea CAS Name: 1-[[[4-(1-benzotriazolylmethyl)phenyl]-oxomethyl]amino]-3-cyclopentylthiourea IUPAC Name: 1-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]-3-cyclopentylthiourea Traditional Name: 1-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]-3-cyclopentyl-thiourea Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=S)NNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCC(C1)NC(=S)NNC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H22N6OS/c27-19(23-24-20(28)21-16-5-1-2-6-16)15-11-9-14(10-12-15)13-26-18-8-4-3-7-17(18)22-25-26/h3-4,7-12,16H,1-2,5-6,13H2,(H,23,27)(H2,21,24,28)