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

Systemtic Name: N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]propanamide Openeye Name: N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]propanamide CAS Name: N-[[[2-[4-(diethylamino)phenyl]-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]carbamothioyl]propanamide Traditional Name: N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]thiocarbamoyl]propionamide Formula: C21H26N6OS MolecularWeight: 410.53574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1C)C3=CC=C(C=C3)N(CC)CC

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC2=NN(N=C2C=C1C)C3=CC=C(C=C3)N(CC)CC

InChI

InChI=1S/C21H26N6OS/c1-5-20(28)23-21(29)22-17-13-19-18(12-14(17)4)24-27(25-19)16-10-8-15(9-11-16)26(6-2)7-3/h8-13H,5-7H2,1-4H3,(H2,22,23,28,29)