N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[[2-[4-(diethylamino)phenyl]-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-1-naphthamide Formula: C29H28N6OS MolecularWeight: 508.63722

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC=CC5=CC=CC=C54)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC=CC5=CC=CC=C54)C

InChI

InChI=1S/C29H28N6OS/c1-4-34(5-2)21-13-15-22(16-14-21)35-32-26-17-19(3)25(18-27(26)33-35)30-29(37)31-28(36)24-12-8-10-20-9-6-7-11-23(20)24/h6-18H,4-5H2,1-3H3,(H2,30,31,36,37)