2-[3-[tert-butyl-[(3-methanethioylphenyl)carbamoyl]amino]-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate

Systemtic Name: 2-[3-[tert-butyl-[(3-methanethioylphenyl)carbamoyl]amino]-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate Openeye Name: 2-[3-[tert-butyl-[(3-methanethioylphenyl)carbamoyl]amino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetate CAS Name: 2-[3-[tert-butyl-[(3-methanethioylanilino)-oxomethyl]amino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetate IUPAC Name: 2-[3-[tert-butyl-[(3-methanethioylphenyl)carbamoyl]amino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetate Traditional Name: 2-[3-[tert-butyl-[(3-thioformylphenyl)carbamoyl]amino]-2-keto-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetate Formula: C30H30N3O4S- MolecularWeight: 528.6419

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C1CC(C2=CC=CC=C2N(C1=O)CC(=O)[O-])C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C=S

Isomeric SMILES

CC(C)(C)N(C1CC(C2=CC=CC=C2N(C1=O)CC(=O)[O-])C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C=S

InChI

InChI=1S/C30H31N3O4S/c1-30(2,3)33(29(37)31-22-13-9-10-20(16-22)19-38)26-17-24(21-11-5-4-6-12-21)23-14-7-8-15-25(23)32(28(26)36)18-27(34)35/h4-16,19,24,26H,17-18H2,1-3H3,(H,31,37)(H,34,35)/p-1