5-but-3-enyl-1-ethylsulfanyl-7,8-dimethoxy-3-(phenylmethyl)-1H-3-benzazepin-2-one

Systemtic Name: 5-but-3-enyl-1-ethylsulfanyl-7,8-dimethoxy-3-(phenylmethyl)-1H-3-benzazepin-2-one Openeye Name: 3-benzyl-5-but-3-enyl-1-ethylsulfanyl-7,8-dimethoxy-1H-3-benzazepin-2-one CAS Name: 5-but-3-enyl-1-(ethylthio)-7,8-dimethoxy-3-(phenylmethyl)-1H-3-benzazepin-2-one IUPAC Name: 3-benzyl-5-but-3-enyl-1-ethylsulfanyl-7,8-dimethoxy-1H-3-benzazepin-2-one Traditional Name: 3-benzyl-5-but-3-enyl-1-(ethylthio)-7,8-dimethoxy-1H-3-benzazepin-2-one Formula: C25H29NO3S MolecularWeight: 423.56766

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C2=CC(=C(C=C2C(=CN(C1=O)CC3=CC=CC=C3)CCC=C)OC)OC

Isomeric SMILES

CCSC1C2=CC(=C(C=C2C(=CN(C1=O)CC3=CC=CC=C3)CCC=C)OC)OC

InChI

InChI=1S/C25H29NO3S/c1-5-7-13-19-17-26(16-18-11-9-8-10-12-18)25(27)24(30-6-2)21-15-23(29-4)22(28-3)14-20(19)21/h5,8-12,14-15,17,24H,1,6-7,13,16H2,2-4H3