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

Systemtic Name: 1-[[4-(benzotriazol-1-ylmethyl)phenyl]carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]-3-pentyl-thiourea CAS Name: 1-[[[4-(1-benzotriazolylmethyl)phenyl]-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]thiourea Formula: C20H24N6OS MolecularWeight: 396.50916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H24N6OS/c1-2-3-6-13-21-20(28)24-23-19(27)16-11-9-15(10-12-16)14-26-18-8-5-4-7-17(18)22-25-26/h4-5,7-12H,2-3,6,13-14H2,1H3,(H,23,27)(H2,21,24,28)