N-[[3-chloranyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: N-[[3-chloranyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-[[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[[3-chloro-4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[[3-chloro-4-(4-pivaloylpiperazino)phenyl]thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C28H31ClN4O3S MolecularWeight: 539.08874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3OC)Cl

Isomeric SMILES

CC(C)(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3OC)Cl

InChI

InChI=1S/C28H31ClN4O3S/c1-28(2,3)26(35)33-13-11-32(12-14-33)23-10-9-20(17-22(23)29)30-27(37)31-25(34)21-15-18-7-5-6-8-19(18)16-24(21)36-4/h5-10,15-17H,11-14H2,1-4H3,(H2,30,31,34,37)