N-[[3-chloranyl-4-[4-(4-propoxyphenyl)carbonylpiperazin-1-yl]phenyl]carbamothioyl]butanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)OCCC)Cl

Isomeric SMILES

CCCC(=O)NC(=S)NC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)OCCC)Cl

InChI

InChI=1S/C25H31ClN4O3S/c1-3-5-23(31)28-25(34)27-19-8-11-22(21(26)17-19)29-12-14-30(15-13-29)24(32)18-6-9-20(10-7-18)33-16-4-2/h6-11,17H,3-5,12-16H2,1-2H3,(H2,27,28,31,34)