N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: N-[[5-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[[5-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[[5-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C26H27ClN4O3S MolecularWeight: 511.03558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN4O3S/c1-3-24(32)31-12-10-30(11-13-31)22-9-8-19(27)16-21(22)28-26(35)29-25(33)20-14-17-6-4-5-7-18(17)15-23(20)34-2/h4-9,14-16H,3,10-13H2,1-2H3,(H2,28,29,33,35)