N-[[3-chloranyl-4-[4-(4-propoxyphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2-methyl-propanamide

Systemtic Name: N-[[3-chloranyl-4-[4-(4-propoxyphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]-2-methyl-propanamide Openeye Name: N-[[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methyl-propanamide CAS Name: N-[[3-chloro-4-[4-[oxo-(4-propoxyphenyl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methylpropanamide Traditional Name: N-[[3-chloro-4-[4-(4-propoxybenzoyl)piperazino]phenyl]thiocarbamoyl]-2-methyl-propionamide Formula: C25H31ClN4O3S MolecularWeight: 503.05664

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=S)NC(=O)C(C)C)Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)NC(=S)NC(=O)C(C)C)Cl

InChI

InChI=1S/C25H31ClN4O3S/c1-4-15-33-20-8-5-18(6-9-20)24(32)30-13-11-29(12-14-30)22-10-7-19(16-21(22)26)27-25(34)28-23(31)17(2)3/h5-10,16-17H,4,11-15H2,1-3H3,(H2,27,28,31,34)