4-butoxy-N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[[2-[4-(diethylamino)phenyl]-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]thiocarbamoyl]benzamide Formula: C29H34N6O2S MolecularWeight: 530.68426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC=C(C=C4)N(CC)CC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=NN(N=C3C=C2C)C4=CC=C(C=C4)N(CC)CC

InChI

InChI=1S/C29H34N6O2S/c1-5-8-17-37-24-15-9-21(10-16-24)28(36)31-29(38)30-25-19-27-26(18-20(25)4)32-35(33-27)23-13-11-22(12-14-23)34(6-2)7-3/h9-16,18-19H,5-8,17H2,1-4H3,(H2,30,31,36,38)